tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride

C123H159ClF8N38O5 — CID 158664625

IUPACtert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride
SMILESCC(C)(C)OC(=O)NCC=O.CNCCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)ccc2C1.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)CCN)C5)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)CCN=C(N)N)C5)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)CCNC(=O)OC(C)(C)C)C5)ncc3F)cc2n1C(C)C.Cl
InChIInChI=1S/C33H43F2N9O2.C29H37F2N11.C28H35F2N9.C26H30F2N8.C7H13NO3.ClH/c1-20(2)44-21(3)38-30-24(34)16-23(17-27(30)44)29-25(35)18-37-31(41-29)40-28-9-8-22-19-43(12-10-26(22)39-28)15-14-42(7)13-11-36-32(45)46-33(4,5)6;1-17(2)42-18(3)36-27-21(30)13-20(14-24(27)42)26-22(31)15-35-29(39-26)38-25-6-5-19-16-41(9-7-23(19)37-25)12-11-40(4)10-8-34-28(32)33;1-17(2)39-18(3)33-27-21(29)13-20(14-24(27)39)26-22(30)15-32-28(36-26)35-25-6-5-19-16-38(9-7-23(19)34-25)12-11-37(4)10-8-31;1-15(2)36-16(3)31-25-19(27)11-18(12-22(25)36)24-20(28)13-30-26(34-24)33-23-6-5-17-14-35(10-8-29-4)9-7-21(17)32-23;1-7(2,3)11-6(10)8-4-5-9;/h8-9,16-18,20H,10-15,19H2,1-7H3,(H,36,45)(H,37,39,40,41);5-6,13-15,17H,7-12,16H2,1-4H3,(H4,32,33,34)(H,35,37,38,39);5-6,13-15,17H,7-12,16,31H2,1-4H3,(H,32,34,35,36);5-6,11-13,15,29H,7-10,14H2,1-4H3,(H,30,32,33,34);5H,4H2,1-3H3,(H,8,10);1H
InChIKeyZNQIFVILTMUMSX-UHFFFAOYSA-N
MW2437.32 g/mol
LogP18.53
Rot. Bonds38

About tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride

tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride (PubChem CID 158664625) has the molecular formula C123H159ClF8N38O5 and a molecular weight of 2437.32 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride
PubChem CID158664625
Molecular FormulaC123H159ClF8N38O5
Molecular Weight2437.32 g/mol
Exact Mass2435.29
IUPAC Nametert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride
SMILESCC(C)(C)OC(=O)NCC=O.CNCCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)ccc2C1.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)CCN)C5)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)CCN=C(N)N)C5)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)CCNC(=O)OC(C)(C)C)C5)ncc3F)cc2n1C(C)C.Cl
InChIInChI=1S/C33H43F2N9O2.C29H37F2N11.C28H35F2N9.C26H30F2N8.C7H13NO3.ClH/c1-20(2)44-21(3)38-30-24(34)16-23(17-27(30)44)29-25(35)18-37-31(41-29)40-28-9-8-22-19-43(12-10-26(22)39-28)15-14-42(7)13-11-36-32(45)46-33(4,5)6;1-17(2)42-18(3)36-27-21(30)13-20(14-24(27)42)26-22(31)15-35-29(39-26)38-25-6-5-19-16-41(9-7-23(19)37-25)12-11-40(4)10-8-34-28(32)33;1-17(2)39-18(3)33-27-21(29)13-20(14-24(27)39)26-22(30)15-32-28(36-26)35-25-6-5-19-16-38(9-7-23(19)34-25)12-11-37(4)10-8-31;1-15(2)36-16(3)31-25-19(27)11-18(12-22(25)36)24-20(28)13-30-26(34-24)33-23-6-5-17-14-35(10-8-29-4)9-7-21(17)32-23;1-7(2,3)11-6(10)8-4-5-9;/h8-9,16-18,20H,10-15,19H2,1-7H3,(H,36,45)(H,37,39,40,41);5-6,13-15,17H,7-12,16H2,1-4H3,(H4,32,33,34)(H,35,37,38,39);5-6,13-15,17H,7-12,16,31H2,1-4H3,(H,32,34,35,36);5-6,11-13,15,29H,7-10,14H2,1-4H3,(H,30,32,33,34);5H,4H2,1-3H3,(H,8,10);1H
InChIKeyZNQIFVILTMUMSX-UHFFFAOYSA-N
XLogP18.53
TPSA492.94 Ų
H-Bond Donors10
H-Bond Acceptors39
Rotatable Bonds38
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002437.32
LogP ≤ 518.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride?
The IUPAC name of tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride (CID 158664625) is tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride.
What is the SMILES notation for tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride?
The canonical SMILES for tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride is CC(C)(C)OC(=O)NCC=O.CNCCN1CCc2nc(Nc3ncc(F)c(-c4cc(F)c5nc(C)n(C(C)C)c5c4)n3)ccc2C1.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)CCN)C5)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)CCN=C(N)N)C5)ncc3F)cc2n1C(C)C.Cc1nc2c(F)cc(-c3nc(Nc4ccc5c(n4)CCN(CCN(C)CCNC(=O)OC(C)(C)C)C5)ncc3F)cc2n1C(C)C.Cl.
What is the InChIKey of tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride?
The InChIKey is ZNQIFVILTMUMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H43F2N9O2.C29H37F2N11.C28H35F2N9.C26H30F2N8.C7H13NO3.ClH/c1-20(2)44-21(3)38-30-24(34)16-23(17-27(30)44)29-25(35)18-37-31(41-29)40-28-9-8-22-19-43(12-10-26(22)39-28)15-14-42(7)13-11-36-32(45)46-33(4,5)6;1-17(2)42-18(3)36-27-21(30)13-20(14-24(27)42)26-22(31)15-35-29(39-26)38-25-6-5-19-16-41(9-7-23(19)37-25)12-11-40(4)10-8-34-28(32)33;1-17(2)39-18(3)33-27-21(29)13-20(14-24(27)39)26-22(30)15-32-28(36-26)35-25-6-5-19-16-38(9-7-23(19)34-25)12-11-37(4)10-8-31;1-15(2)36-16(3)31-25-19(27)11-18(12-22(25)36)24-20(28)13-30-26(34-24)33-23-6-5-17-14-35(10-8-29-4)9-7-21(17)32-23;1-7(2,3)11-6(10)8-4-5-9;/h8-9,16-18,20H,10-15,19H2,1-7H3,(H,36,45)(H,37,39,40,41);5-6,13-15,17H,7-12,16H2,1-4H3,(H4,32,33,34)(H,35,37,38,39);5-6,13-15,17H,7-12,16,31H2,1-4H3,(H,32,34,35,36);5-6,11-13,15,29H,7-10,14H2,1-4H3,(H,30,32,33,34);5H,4H2,1-3H3,(H,8,10);1H.
What are the key properties of tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride?
tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride has a molecular weight of 2437.32 g/mol, XLogP of 18.53, 38 rotatable bonds, 10 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]carbamate;tert-butyl N-(2-oxoethyl)carbamate;2-[2-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl-methylamino]ethyl]guanidine;N'-[2-[2-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethyl]-N'-methylethane-1,2-diamine;N-[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]-6-[2-(methylamino)ethyl]-7,8-dihydro-5H-1,6-naphthyridin-2-amine;hydrochloride is sourced from PubChem (CID 158664625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).