N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide

C142H127F10N33O5S2 — CID 158635901

IUPACN-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3cc(-c4ccccc4)nc(-c4c[nH]c5c(F)cc(F)cc45)n3)C2)cs1.Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3cc(-c4ccccc4)nc(-c4c[nH]c5c(F)cc(F)cc45)n3)C2)cs1.O=C(NC1CCCC(Nc2cc(-c3ccccc3)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)C1)c1cnc[nH]1.O=C(N[C@@H]1CCC[C@H](Nc2cc(-c3ccccc3)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)C1)c1cnc[nH]1.O=C(N[C@H]1CCC[C@@H](Nc2cc(-c3ccccc3)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)C1)c1cnc[nH]1
InChIInChI=1S/2C29H26F2N6OS.3C28H25F2N7O/c2*1-16-33-25(15-39-16)29(38)35-20-9-5-8-19(12-20)34-26-13-24(17-6-3-2-4-7-17)36-28(37-26)22-14-32-27-21(22)10-18(30)11-23(27)31;3*29-17-9-20-21(13-32-26(20)22(30)10-17)27-36-23(16-5-2-1-3-6-16)12-25(37-27)34-18-7-4-8-19(11-18)35-28(38)24-14-31-15-33-24/h2*2-4,6-7,10-11,13-15,19-20,32H,5,8-9,12H2,1H3,(H,35,38)(H,34,36,37);3*1-3,5-6,9-10,12-15,18-19,32H,4,7-8,11H2,(H,31,33)(H,35,38)(H,34,36,37)/t2*19-,20+;2*18-,19+;/m1010./s1
InChIKeyHZTOINMJULAPSQ-JLEXDJJRSA-N
MW2629.92 g/mol
LogP29.32
Rot. Bonds30

About N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide

N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide (PubChem CID 158635901) has the molecular formula C142H127F10N33O5S2 and a molecular weight of 2629.92 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
PubChem CID158635901
Molecular FormulaC142H127F10N33O5S2
Molecular Weight2629.92 g/mol
Exact Mass2628.00
IUPAC NameN-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3cc(-c4ccccc4)nc(-c4c[nH]c5c(F)cc(F)cc45)n3)C2)cs1.Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3cc(-c4ccccc4)nc(-c4c[nH]c5c(F)cc(F)cc45)n3)C2)cs1.O=C(NC1CCCC(Nc2cc(-c3ccccc3)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)C1)c1cnc[nH]1.O=C(N[C@@H]1CCC[C@H](Nc2cc(-c3ccccc3)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)C1)c1cnc[nH]1.O=C(N[C@H]1CCC[C@@H](Nc2cc(-c3ccccc3)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)C1)c1cnc[nH]1
InChIInChI=1S/2C29H26F2N6OS.3C28H25F2N7O/c2*1-16-33-25(15-39-16)29(38)35-20-9-5-8-19(12-20)34-26-13-24(17-6-3-2-4-7-17)36-28(37-26)22-14-32-27-21(22)10-18(30)11-23(27)31;3*29-17-9-20-21(13-32-26(20)22(30)10-17)27-36-23(16-5-2-1-3-6-16)12-25(37-27)34-18-7-4-8-19(11-18)35-28(38)24-14-31-15-33-24/h2*2-4,6-7,10-11,13-15,19-20,32H,5,8-9,12H2,1H3,(H,35,38)(H,34,36,37);3*1-3,5-6,9-10,12-15,18-19,32H,4,7-8,11H2,(H,31,33)(H,35,38)(H,34,36,37)/t2*19-,20+;2*18-,19+;/m1010./s1
InChIKeyHZTOINMJULAPSQ-JLEXDJJRSA-N
XLogP29.32
TPSA525.32 Ų
H-Bond Donors18
H-Bond Acceptors27
Rotatable Bonds30
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002629.92
LogP ≤ 529.32
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1027

Analyze N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-[2-amino-8-(4-fluorophenyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]purin-9-yl]-2,3-bis[4-[2-amino-8-(4-fluorophenyl)-9H-purin-6-yl]piperazin-1-yl]-N-pyridin-2-yl-N'-(1,3-thiazol-2-yl)butanediamide
CID 87282612
2-amino-N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 134272466
2-amino-N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 134272467
2-amino-N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 134272751
2-amino-N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 134272752
2-amino-N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 138747712
2-amino-N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-1,3-thiazole-4-carboxamide
CID 138747919
3-[(3R,5S)-3-[[1-[(3S,5R)-5-[[5-(5-acetyl-1,3-thiazol-2-yl)-1-[[(3R,5R)-1-(2-cyanoacetyl)-5-[[1-[(3S,5R)-1-(2-cyanoethyl)-5-[[1-[[(3S,5R)-1-(2-cyanoethyl)-5-[[5-(4-methyl-1,3-thiazol-2-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-3-yl]methyl]-5-(5-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-3-yl]-5-(4-methyl-1,3-thiazol-2-yl)pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-3-yl]methyl]pyrrolo[2,3-b]pyridin-4-yl]amino]-1-(2-cyanoacetyl)piperidin-3-yl]-5-[5-(fluoromethyl)-1,3-thiazol-2-yl]pyrrolo[2,3-b]pyridin-4-yl]amino]-5-methylpiperidin-1-yl]-3-oxopropanenitrile
CID 155258825
N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-5-fluoro-6-methylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 156569494
6-(4-methyl-3-pyridinyl)-2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridine;N-[2-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;N-[3-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-b]pyridin-6-yl]phenyl]acetamide;7-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]pyrimidin-2-amine;5-[2-(4-piperidin-1-ylpiperidin-1-yl)-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 157193776
(2S)-N-[2-[6-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;(2S)-N-[2-[2-(3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;N-[6-[5-(1,1-difluoroethyl)-6-methyl-3-pyridinyl]pyrazin-2-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]acetamide;(2S)-N-[5-[2-(1,1-difluoroethyl)pyrimidin-5-yl]-1,3-thiazol-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxopropyl)purin-7-yl]propanamide;(2S)-N-[2-[2-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidin-5-yl]pyrimidin-4-yl]-2-[3-methyl-2,6-dioxo-1-(2-oxobutyl)purin-7-yl]propanamide
CID 157379989
1-[2-[4-(2,2-difluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;1-[2-[4-(2-fluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]-3-(1H-indol-3-ylmethyl)heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-[4-(3,3,3-trifluoropropyl)piperazin-1-yl]-1,3-thiazol-5-yl]heptan-1-one;3-(1H-indol-3-ylmethyl)-1-[2-(3,3,4-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]heptan-1-one
CID 157593490

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide (CID 158635901) is N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3cc(-c4ccccc4)nc(-c4c[nH]c5c(F)cc(F)cc45)n3)C2)cs1.Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3cc(-c4ccccc4)nc(-c4c[nH]c5c(F)cc(F)cc45)n3)C2)cs1.O=C(NC1CCCC(Nc2cc(-c3ccccc3)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)C1)c1cnc[nH]1.O=C(N[C@@H]1CCC[C@H](Nc2cc(-c3ccccc3)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)C1)c1cnc[nH]1.O=C(N[C@H]1CCC[C@@H](Nc2cc(-c3ccccc3)nc(-c3c[nH]c4c(F)cc(F)cc34)n2)C1)c1cnc[nH]1.
What is the InChIKey of N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is HZTOINMJULAPSQ-JLEXDJJRSA-N. The full InChI is InChI=1S/2C29H26F2N6OS.3C28H25F2N7O/c2*1-16-33-25(15-39-16)29(38)35-20-9-5-8-19(12-20)34-26-13-24(17-6-3-2-4-7-17)36-28(37-26)22-14-32-27-21(22)10-18(30)11-23(27)31;3*29-17-9-20-21(13-32-26(20)22(30)10-17)27-36-23(16-5-2-1-3-6-16)12-25(37-27)34-18-7-4-8-19(11-18)35-28(38)24-14-31-15-33-24/h2*2-4,6-7,10-11,13-15,19-20,32H,5,8-9,12H2,1H3,(H,35,38)(H,34,36,37);3*1-3,5-6,9-10,12-15,18-19,32H,4,7-8,11H2,(H,31,33)(H,35,38)(H,34,36,37)/t2*19-,20+;2*18-,19+;/m1010./s1.
What are the key properties of N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide?
N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 2629.92 g/mol, XLogP of 29.32, 30 rotatable bonds, 18 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-1H-imidazole-5-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-6-phenylpyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 158635901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).