3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate

C154H177Cl6N47O18 — CID 159376699

IUPAC3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate
SMILESCCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.CCN(CC)C(=O)Cn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc4c(c2)C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2C=CC4)CC3)nc1Cl
InChIInChI=1S/C28H34ClN9O3.C28H35ClN8O5.C27H31ClN8O4.C25H29ClN8O2.2C23H24ClN7O2/c1-3-36(4-2)21(39)16-38-13-9-17-18(6-5-7-19(17)38)27(41)37-14-11-28(12-15-37)10-8-20(35-28)32-26(40)22-24(30)34-25(31)23(29)33-22;1-40-15-16-42-17-41-14-13-36-10-6-18-19(3-2-4-20(18)36)27(39)37-11-8-28(9-12-37)7-5-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;1-40-20(37)6-3-12-35-13-8-16-17(4-2-5-18(16)35)26(39)36-14-10-27(11-15-36)9-7-19(34-27)31-25(38)21-23(29)33-24(30)22(28)32-21;1-2-11-33-12-7-15-16(4-3-5-17(15)33)24(36)34-13-9-25(10-14-34)8-6-18(32-25)29-23(35)19-21(27)31-22(28)20(26)30-19;24-18-20(26)29-19(25)17(28-18)21(32)27-16-7-8-23(30-16)9-11-31(12-10-23)22(33)15-6-2-4-13-3-1-5-14(13)15;24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15/h5-7,9,13H,3-4,8,10-12,14-16H2,1-2H3,(H4,30,31,34)(H,32,35,40);2-4,6,10H,5,7-9,11-17H2,1H3,(H4,30,31,34)(H,32,35,38);2,4-5,8,13H,3,6-7,9-12,14-15H2,1H3,(H4,29,30,33)(H,31,34,38);3-5,7,12H,2,6,8-11,13-14H2,1H3,(H4,27,28,31)(H,29,32,35);1-2,4-6H,3,7-12H2,(H4,25,26,29)(H,27,30,32);1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32)
InChIKeyLKKFRPLRTNWJPI-UHFFFAOYSA-N
MW3187.14 g/mol
LogP16.18
Rot. Bonds30

About 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate

3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate (PubChem CID 159376699) has the molecular formula C154H177Cl6N47O18 and a molecular weight of 3187.14 g/mol. Its IUPAC name is 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate.

Molecular Properties

Compound Name3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate
PubChem CID159376699
Molecular FormulaC154H177Cl6N47O18
Molecular Weight3187.14 g/mol
Exact Mass3182.25
IUPAC Name3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate
SMILESCCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.CCN(CC)C(=O)Cn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc4c(c2)C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2C=CC4)CC3)nc1Cl
InChIInChI=1S/C28H34ClN9O3.C28H35ClN8O5.C27H31ClN8O4.C25H29ClN8O2.2C23H24ClN7O2/c1-3-36(4-2)21(39)16-38-13-9-17-18(6-5-7-19(17)38)27(41)37-14-11-28(12-15-37)10-8-20(35-28)32-26(40)22-24(30)34-25(31)23(29)33-22;1-40-15-16-42-17-41-14-13-36-10-6-18-19(3-2-4-20(18)36)27(39)37-11-8-28(9-12-37)7-5-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;1-40-20(37)6-3-12-35-13-8-16-17(4-2-5-18(16)35)26(39)36-14-10-27(11-15-36)9-7-19(34-27)31-25(38)21-23(29)33-24(30)22(28)32-21;1-2-11-33-12-7-15-16(4-3-5-17(15)33)24(36)34-13-9-25(10-14-34)8-6-18(32-25)29-23(35)19-21(27)31-22(28)20(26)30-19;24-18-20(26)29-19(25)17(28-18)21(32)27-16-7-8-23(30-16)9-11-31(12-10-23)22(33)15-6-2-4-13-3-1-5-14(13)15;24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15/h5-7,9,13H,3-4,8,10-12,14-16H2,1-2H3,(H4,30,31,34)(H,32,35,40);2-4,6,10H,5,7-9,11-17H2,1H3,(H4,30,31,34)(H,32,35,38);2,4-5,8,13H,3,6-7,9-12,14-15H2,1H3,(H4,29,30,33)(H,31,34,38);3-5,7,12H,2,6,8-11,13-14H2,1H3,(H4,27,28,31)(H,29,32,35);1-2,4-6H,3,7-12H2,(H4,25,26,29)(H,27,30,32);1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32)
InChIKeyLKKFRPLRTNWJPI-UHFFFAOYSA-N
XLogP16.18
TPSA931.56 Ų
H-Bond Donors18
H-Bond Acceptors52
Rotatable Bonds30
Heavy Atoms225
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003187.14
LogP ≤ 516.18
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The IUPAC name of 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate (CID 159376699) is 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate.
What is the SMILES notation for 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The canonical SMILES for 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate is CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.CCN(CC)C(=O)Cn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COC(=O)CCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.COCCOCOCCn1ccc2c(C(=O)N3CCC4(CCC(NC(=O)c5nc(Cl)c(N)nc5N)=N4)CC3)cccc21.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2ccc4c(c2)C=CC4)CC3)nc1Cl.Nc1nc(N)c(C(=O)NC2=NC3(CC2)CCN(C(=O)c2cccc4c2C=CC4)CC3)nc1Cl.
What is the InChIKey of 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
The InChIKey is LKKFRPLRTNWJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34ClN9O3.C28H35ClN8O5.C27H31ClN8O4.C25H29ClN8O2.2C23H24ClN7O2/c1-3-36(4-2)21(39)16-38-13-9-17-18(6-5-7-19(17)38)27(41)37-14-11-28(12-15-37)10-8-20(35-28)32-26(40)22-24(30)34-25(31)23(29)33-22;1-40-15-16-42-17-41-14-13-36-10-6-18-19(3-2-4-20(18)36)27(39)37-11-8-28(9-12-37)7-5-21(35-28)32-26(38)22-24(30)34-25(31)23(29)33-22;1-40-20(37)6-3-12-35-13-8-16-17(4-2-5-18(16)35)26(39)36-14-10-27(11-15-36)9-7-19(34-27)31-25(38)21-23(29)33-24(30)22(28)32-21;1-2-11-33-12-7-15-16(4-3-5-17(15)33)24(36)34-13-9-25(10-14-34)8-6-18(32-25)29-23(35)19-21(27)31-22(28)20(26)30-19;24-18-20(26)29-19(25)17(28-18)21(32)27-16-7-8-23(30-16)9-11-31(12-10-23)22(33)15-6-2-4-13-3-1-5-14(13)15;24-18-20(26)29-19(25)17(28-18)21(32)27-16-6-7-23(30-16)8-10-31(11-9-23)22(33)15-5-4-13-2-1-3-14(13)12-15/h5-7,9,13H,3-4,8,10-12,14-16H2,1-2H3,(H4,30,31,34)(H,32,35,40);2-4,6,10H,5,7-9,11-17H2,1H3,(H4,30,31,34)(H,32,35,38);2,4-5,8,13H,3,6-7,9-12,14-15H2,1H3,(H4,29,30,33)(H,31,34,38);3-5,7,12H,2,6,8-11,13-14H2,1H3,(H4,27,28,31)(H,29,32,35);1-2,4-6H,3,7-12H2,(H4,25,26,29)(H,27,30,32);1,3-5,12H,2,6-11H2,(H4,25,26,29)(H,27,30,32).
What are the key properties of 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate?
3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate has a molecular weight of 3187.14 g/mol, XLogP of 16.18, 30 rotatable bonds, 18 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-6-chloro-N-[8-[1-[2-(diethylamino)-2-oxoethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1H-indene-5-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-[1-[2-(2-methoxyethoxymethoxy)ethyl]indole-4-carbonyl]-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;3,5-diamino-6-chloro-N-[8-(1-propylindole-4-carbonyl)-1,8-diazaspiro[4.5]dec-1-en-2-yl]pyrazine-2-carboxamide;methyl 4-[4-[2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]-1,8-diazaspiro[4.5]dec-1-ene-8-carbonyl]indol-1-yl]butanoate is sourced from PubChem (CID 159376699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).