N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide

C156H162F12N42O6S3 — CID 158323897

IUPACN-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide
SMILESCc1nc(C(=O)NC2CCCC(Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cn1ccc2c(NC3CCCC(NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@@H]3CCC[C@H](NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@H]3CCC[C@@H](NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21
InChIInChI=1S/3C26H25F2N7OS.3C26H29F2N7O/c3*1-13-30-21(12-37-13)26(36)32-16-5-3-4-15(10-16)31-23-17-6-7-35(2)25(17)34-24(33-23)19-11-29-22-18(19)8-14(27)9-20(22)28;3*1-34-10-7-18-23(30-16-5-4-6-17(13-16)31-26(36)35-8-2-3-9-35)32-24(33-25(18)34)20-14-29-22-19(20)11-15(27)12-21(22)28/h3*6-9,11-12,15-16,29H,3-5,10H2,1-2H3,(H,32,36)(H,31,33,34);3*7,10-12,14,16-17,29H,2-6,8-9,13H2,1H3,(H,31,36)(H,30,32,33)/t2*15-,16+;;2*16-,17+;/m10.10./s1
InChIKeyGPEDVKZLTFKYAV-RSYQBUFLSA-N
MW3045.48 g/mol
LogP30.71
Rot. Bonds27

About N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide

N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide (PubChem CID 158323897) has the molecular formula C156H162F12N42O6S3 and a molecular weight of 3045.48 g/mol. Its IUPAC name is N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide
PubChem CID158323897
Molecular FormulaC156H162F12N42O6S3
Molecular Weight3045.48 g/mol
Exact Mass3043.26
IUPAC NameN-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide
SMILESCc1nc(C(=O)NC2CCCC(Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cn1ccc2c(NC3CCCC(NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@@H]3CCC[C@H](NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@H]3CCC[C@@H](NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21
InChIInChI=1S/3C26H25F2N7OS.3C26H29F2N7O/c3*1-13-30-21(12-37-13)26(36)32-16-5-3-4-15(10-16)31-23-17-6-7-35(2)25(17)34-24(33-23)19-11-29-22-18(19)8-14(27)9-20(22)28;3*1-34-10-7-18-23(30-16-5-4-6-17(13-16)31-26(36)35-8-2-3-9-35)32-24(33-25(18)34)20-14-29-22-19(20)11-15(27)12-21(22)28/h3*6-9,11-12,15-16,29H,3-5,10H2,1-2H3,(H,32,36)(H,31,33,34);3*7,10-12,14,16-17,29H,2-6,8-9,13H2,1H3,(H,31,36)(H,30,32,33)/t2*15-,16+;;2*16-,17+;/m10.10./s1
InChIKeyGPEDVKZLTFKYAV-RSYQBUFLSA-N
XLogP30.71
TPSA574.17 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds27
Heavy Atoms219
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003045.48
LogP ≤ 530.71
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide (CID 158323897) is N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide is Cc1nc(C(=O)NC2CCCC(Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@@H]2CCC[C@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cc1nc(C(=O)N[C@H]2CCC[C@@H](Nc3nc(-c4c[nH]c5c(F)cc(F)cc45)nc4c3ccn4C)C2)cs1.Cn1ccc2c(NC3CCCC(NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@@H]3CCC[C@H](NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.Cn1ccc2c(N[C@H]3CCC[C@@H](NC(=O)N4CCCC4)C3)nc(-c3c[nH]c4c(F)cc(F)cc34)nc21.
What is the InChIKey of N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide?
The InChIKey is GPEDVKZLTFKYAV-RSYQBUFLSA-N. The full InChI is InChI=1S/3C26H25F2N7OS.3C26H29F2N7O/c3*1-13-30-21(12-37-13)26(36)32-16-5-3-4-15(10-16)31-23-17-6-7-35(2)25(17)34-24(33-23)19-11-29-22-18(19)8-14(27)9-20(22)28;3*1-34-10-7-18-23(30-16-5-4-6-17(13-16)31-26(36)35-8-2-3-9-35)32-24(33-25(18)34)20-14-29-22-19(20)11-15(27)12-21(22)28/h3*6-9,11-12,15-16,29H,3-5,10H2,1-2H3,(H,32,36)(H,31,33,34);3*7,10-12,14,16-17,29H,2-6,8-9,13H2,1H3,(H,31,36)(H,30,32,33)/t2*15-,16+;;2*16-,17+;/m10.10./s1.
What are the key properties of N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide?
N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide has a molecular weight of 3045.48 g/mol, XLogP of 30.71, 27 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]-2-methyl-1,3-thiazole-4-carboxamide;N-[(1R,3S)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[(1S,3R)-3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide;N-[3-[[2-(5,7-difluoro-1H-indol-3-yl)-7-methylpyrrolo[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 158323897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).