tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine

C170H235IN50O24 — CID 157205268

IUPACtert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC(=O)N1CCN(c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)cnc23)c2cccnc21.CC(=O)N1CCN(c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)cnc23)c2ncccc21.CNC(=O)n1ccnc1.CNC(=O)n1ccnc1.C[C@@H]1OCC2(CCN(c3cnc4c(I)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCNc6cccnc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCNc6ncccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.c1cnc2c(c1)CCCN2
InChIInChI=1S/2C33H45N9O5.2C31H43N9O4.C24H35IN6O4.C8H10N2.2C5H7N3O/c1-21-27(37-31(44)47-32(3,4)5)33(20-46-21)11-14-39(15-12-33)24-19-35-26-29(36-24)42(25-10-6-7-18-45-25)38-30(26)41-17-16-40(22(2)43)28-23(41)9-8-13-34-28;1-21-27(37-31(44)47-32(3,4)5)33(20-46-21)11-14-39(15-12-33)24-19-35-26-29(36-24)42(25-10-6-7-18-45-25)38-30(26)41-17-16-40(22(2)43)23-9-8-13-34-28(23)41;1-20-25(36-29(41)44-30(2,3)4)31(19-43-20)10-14-38(15-11-31)22-18-34-24-27(35-22)40(23-9-5-6-17-42-23)37-28(24)39-16-13-32-21-8-7-12-33-26(21)39;1-20-25(36-29(41)44-30(2,3)4)31(19-43-20)10-14-38(15-11-31)22-18-34-24-27(35-22)40(23-9-5-6-17-42-23)37-28(24)39-16-13-33-26-21(39)8-7-12-32-26;1-15-19(28-22(32)35-23(2,3)4)24(14-34-15)8-10-30(11-9-24)16-13-26-18-20(25)29-31(21(18)27-16)17-7-5-6-12-33-17;1-3-7-4-2-6-10-8(7)9-5-1;2*1-6-5(9)8-3-2-7-4-8/h2*8-9,13,19,21,25,27H,6-7,10-12,14-18,20H2,1-5H3,(H,37,44);7-8,12,18,20,23,25,32H,5-6,9-11,13-17,19H2,1-4H3,(H,36,41);7-8,12,18,20,23,25H,5-6,9-11,13-17,19H2,1-4H3,(H,32,33)(H,36,41);13,15,17,19H,5-12,14H2,1-4H3,(H,28,32);1,3,5H,2,4,6H2,(H,9,10);2*2-4H,1H3,(H,6,9)/t2*21-,25?,27+;2*20-,23?,25+;15-,17?,19+;;;/m00000.../s1
InChIKeyARGWGUUCQDWBDN-KSUBLADUSA-N
MW3489.98 g/mol
LogP23.02
Rot. Bonds19

About tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine

tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine (PubChem CID 157205268) has the molecular formula C170H235IN50O24 and a molecular weight of 3489.98 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine
PubChem CID157205268
Molecular FormulaC170H235IN50O24
Molecular Weight3489.98 g/mol
Exact Mass3487.78
IUPAC Nametert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine
SMILESCC(=O)N1CCN(c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)cnc23)c2cccnc21.CC(=O)N1CCN(c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)cnc23)c2ncccc21.CNC(=O)n1ccnc1.CNC(=O)n1ccnc1.C[C@@H]1OCC2(CCN(c3cnc4c(I)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCNc6cccnc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCNc6ncccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.c1cnc2c(c1)CCCN2
InChIInChI=1S/2C33H45N9O5.2C31H43N9O4.C24H35IN6O4.C8H10N2.2C5H7N3O/c1-21-27(37-31(44)47-32(3,4)5)33(20-46-21)11-14-39(15-12-33)24-19-35-26-29(36-24)42(25-10-6-7-18-45-25)38-30(26)41-17-16-40(22(2)43)28-23(41)9-8-13-34-28;1-21-27(37-31(44)47-32(3,4)5)33(20-46-21)11-14-39(15-12-33)24-19-35-26-29(36-24)42(25-10-6-7-18-45-25)38-30(26)41-17-16-40(22(2)43)23-9-8-13-34-28(23)41;1-20-25(36-29(41)44-30(2,3)4)31(19-43-20)10-14-38(15-11-31)22-18-34-24-27(35-22)40(23-9-5-6-17-42-23)37-28(24)39-16-13-32-21-8-7-12-33-26(21)39;1-20-25(36-29(41)44-30(2,3)4)31(19-43-20)10-14-38(15-11-31)22-18-34-24-27(35-22)40(23-9-5-6-17-42-23)37-28(24)39-16-13-33-26-21(39)8-7-12-32-26;1-15-19(28-22(32)35-23(2,3)4)24(14-34-15)8-10-30(11-9-24)16-13-26-18-20(25)29-31(21(18)27-16)17-7-5-6-12-33-17;1-3-7-4-2-6-10-8(7)9-5-1;2*1-6-5(9)8-3-2-7-4-8/h2*8-9,13,19,21,25,27H,6-7,10-12,14-18,20H2,1-5H3,(H,37,44);7-8,12,18,20,23,25,32H,5-6,9-11,13-17,19H2,1-4H3,(H,36,41);7-8,12,18,20,23,25H,5-6,9-11,13-17,19H2,1-4H3,(H,32,33)(H,36,41);13,15,17,19H,5-12,14H2,1-4H3,(H,28,32);1,3,5H,2,4,6H2,(H,9,10);2*2-4H,1H3,(H,6,9)/t2*21-,25?,27+;2*20-,23?,25+;15-,17?,19+;;;/m00000.../s1
InChIKeyARGWGUUCQDWBDN-KSUBLADUSA-N
XLogP23.02
TPSA766.11 Ų
H-Bond Donors10
H-Bond Acceptors65
Rotatable Bonds19
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003489.98
LogP ≤ 523.02
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1065

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine with MolForge

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Launch Full Analysis

Related Compounds

methyl 6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)pyrazolo[3,4-b]pyrazine-1-carboxylate
CID 142484381
3-[1-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-3,4-dihydro-2H-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one
CID 167845112
tert-butyl N-[(3S,4S)-8-[3-[(4R)-7-fluoro-4-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 146641623
tert-butyl N-[(3S,4S)-8-[5-chloro-3-[3-chloro-2-(ethylamino)-4-pyridinyl]-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[5-chloro-3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[4,5-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3-chloro-2-fluoro-4-pyridinyl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;(3S,4S)-8-[5-chloro-3-(3-chloro-2-propyl-4-pyridinyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine;deuterio(fluoro)methane;ethanamine;methane;tributyl-(3-chloro-2-fluoro-4-pyridinyl)stannane;2,2,2-trifluoroacetaldehyde
CID 159280586
tert-butyl (3R)-3-[4-[7-(4-hydroxycyclohexyl)-2-[[(2S)-1-methoxypropan-2-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]pyrazol-1-yl]pyrrolidine-1-carboxylate;4-[2-[[(3S)-oxolan-3-yl]methyl]-5-(2-piperidin-1-yl-4-pyridinyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol;4-[5-(2-piperidin-1-yl-4-pyridinyl)-2-(3,3,3-trifluoropropylamino)pyrrolo[2,1-f][1,2,4]triazin-7-yl]cyclohexan-1-ol
CID 160057104
tert-butyl 4-[4-amino-3-(1H-imidazo[4,5-b]pyridin-6-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carboxylate;tert-butyl 4-(4-amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate;methane;3-methyl-7H-cyclopenta[b]pyridine;1-piperidin-4-yl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;2,2,2-trifluoroacetic acid
CID 163424204
N-[3-(difluoromethyl)-1-[4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168079760
N-[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168079777
N-[3-(difluoromethyl)-1-[4-[[(3S,4S)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168079795
N-[3-(difluoromethyl)-1-[4-[[(3R,4R)-4-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-8-yl]prop-2-ynoxy]-3-methylpiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-yl]-5-[(1R,4R)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 168079806
tert-butyl N-[(3S,4S)-8-[3-(4-carbamoyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
CID 135387712
[1-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-4-methoxypiperidin-4-yl]methylcarbamic acid
CID 135387949

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine?
The IUPAC name of tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine (CID 157205268) is tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine.
What is the SMILES notation for tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine?
The canonical SMILES for tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine is CC(=O)N1CCN(c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)cnc23)c2cccnc21.CC(=O)N1CCN(c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)cnc23)c2ncccc21.CNC(=O)n1ccnc1.CNC(=O)n1ccnc1.C[C@@H]1OCC2(CCN(c3cnc4c(I)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCNc6cccnc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.C[C@@H]1OCC2(CCN(c3cnc4c(N5CCNc6ncccc65)nn(C5CCCCO5)c4n3)CC2)[C@@H]1NC(=O)OC(C)(C)C.c1cnc2c(c1)CCCN2.
What is the InChIKey of tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine?
The InChIKey is ARGWGUUCQDWBDN-KSUBLADUSA-N. The full InChI is InChI=1S/2C33H45N9O5.2C31H43N9O4.C24H35IN6O4.C8H10N2.2C5H7N3O/c1-21-27(37-31(44)47-32(3,4)5)33(20-46-21)11-14-39(15-12-33)24-19-35-26-29(36-24)42(25-10-6-7-18-45-25)38-30(26)41-17-16-40(22(2)43)28-23(41)9-8-13-34-28;1-21-27(37-31(44)47-32(3,4)5)33(20-46-21)11-14-39(15-12-33)24-19-35-26-29(36-24)42(25-10-6-7-18-45-25)38-30(26)41-17-16-40(22(2)43)23-9-8-13-34-28(23)41;1-20-25(36-29(41)44-30(2,3)4)31(19-43-20)10-14-38(15-11-31)22-18-34-24-27(35-22)40(23-9-5-6-17-42-23)37-28(24)39-16-13-32-21-8-7-12-33-26(21)39;1-20-25(36-29(41)44-30(2,3)4)31(19-43-20)10-14-38(15-11-31)22-18-34-24-27(35-22)40(23-9-5-6-17-42-23)37-28(24)39-16-13-33-26-21(39)8-7-12-32-26;1-15-19(28-22(32)35-23(2,3)4)24(14-34-15)8-10-30(11-9-24)16-13-26-18-20(25)29-31(21(18)27-16)17-7-5-6-12-33-17;1-3-7-4-2-6-10-8(7)9-5-1;2*1-6-5(9)8-3-2-7-4-8/h2*8-9,13,19,21,25,27H,6-7,10-12,14-18,20H2,1-5H3,(H,37,44);7-8,12,18,20,23,25,32H,5-6,9-11,13-17,19H2,1-4H3,(H,36,41);7-8,12,18,20,23,25H,5-6,9-11,13-17,19H2,1-4H3,(H,32,33)(H,36,41);13,15,17,19H,5-12,14H2,1-4H3,(H,28,32);1,3,5H,2,4,6H2,(H,9,10);2*2-4H,1H3,(H,6,9)/t2*21-,25?,27+;2*20-,23?,25+;15-,17?,19+;;;/m00000.../s1.
What are the key properties of tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine?
tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine has a molecular weight of 3489.98 g/mol, XLogP of 23.02, 19 rotatable bonds, 10 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-8-[3-(1-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(4-acetyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(2,3-dihydro-1H-pyrido[2,3-b]pyrazin-4-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-(3,4-dihydro-2H-pyrido[2,3-b]pyrazin-1-yl)-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;tert-butyl N-[(3S,4S)-8-[3-iodo-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate;bis(N-methylimidazole-1-carboxamide);1,2,3,4-tetrahydro-1,8-naphthyridine is sourced from PubChem (CID 157205268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).