N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone

C100H106N36O4 — CID 157290415

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCN(Cc1cnn(C)c1)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.CCn1cc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)cn1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCc4c(cnn4C(C)C)C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cnn(C)c3C)[nH]c12
InChIInChI=1S/C27H29N9O.C25H27N9O.2C24H25N9O/c1-16(2)36-24-6-8-35(13-19(24)12-30-36)26(37)22-11-18-10-20(9-17(3)25(18)32-22)31-27-28-7-5-21(33-27)23-14-34(4)15-29-23;1-5-34(13-17-11-28-33(4)12-17)24(35)21-10-18-9-19(8-16(2)23(18)30-21)29-25-26-7-6-20(31-25)22-14-32(3)15-27-22;1-14-7-18(29-24-25-6-5-19(31-24)21-12-32(3)13-27-21)8-16-9-20(30-22(14)16)23(34)26-10-17-11-28-33(4)15(17)2;1-4-33-12-16(11-28-33)10-26-23(34)20-9-17-8-18(7-15(2)22(17)30-20)29-24-25-6-5-19(31-24)21-13-32(3)14-27-21/h5,7,9-12,14-16,32H,6,8,13H2,1-4H3,(H,28,31,33);6-12,14-15,30H,5,13H2,1-4H3,(H,26,29,31);5-9,11-13,30H,10H2,1-4H3,(H,26,34)(H,25,29,31);5-9,11-14,30H,4,10H2,1-3H3,(H,26,34)(H,25,29,31)
InChIKeyBASTWDSHEKHXCT-UHFFFAOYSA-N
MW1876.20 g/mol
LogP15.13
Rot. Bonds25

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone

N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 157290415) has the molecular formula C100H106N36O4 and a molecular weight of 1876.20 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID157290415
Molecular FormulaC100H106N36O4
Molecular Weight1876.20 g/mol
Exact Mass1874.92
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCN(Cc1cnn(C)c1)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.CCn1cc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)cn1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCc4c(cnn4C(C)C)C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cnn(C)c3C)[nH]c12
InChIInChI=1S/C27H29N9O.C25H27N9O.2C24H25N9O/c1-16(2)36-24-6-8-35(13-19(24)12-30-36)26(37)22-11-18-10-20(9-17(3)25(18)32-22)31-27-28-7-5-21(33-27)23-14-34(4)15-29-23;1-5-34(13-17-11-28-33(4)12-17)24(35)21-10-18-9-19(8-16(2)23(18)30-21)29-25-26-7-6-20(31-25)22-14-32(3)15-27-22;1-14-7-18(29-24-25-6-5-19(31-24)21-12-32(3)13-27-21)8-16-9-20(30-22(14)16)23(34)26-10-17-11-28-33(4)15(17)2;1-4-33-12-16(11-28-33)10-26-23(34)20-9-17-8-18(7-15(2)22(17)30-20)29-24-25-6-5-19(31-24)21-13-32(3)14-27-21/h5,7,9-12,14-16,32H,6,8,13H2,1-4H3,(H,28,31,33);6-12,14-15,30H,5,13H2,1-4H3,(H,26,29,31);5-9,11-13,30H,10H2,1-4H3,(H,26,34)(H,25,29,31);5-9,11-14,30H,4,10H2,1-3H3,(H,26,34)(H,25,29,31)
InChIKeyBASTWDSHEKHXCT-UHFFFAOYSA-N
XLogP15.13
TPSA455.78 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001876.20
LogP ≤ 515.13
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

N-[(1-ethylpyrazol-3-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
CID 72188288
N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
CID 72188290
N-(3H-imidazo[4,5-c]pyridin-2-ylmethyl)-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
CID 72188294
7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 72188338
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233751
1-[1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 71233753
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233754
7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide
CID 72188190
N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-7-(1-methylpyrazol-4-yl)-1H-indole-2-carboxamide
CID 72188221
N-[(2,5-dimethylpyrazol-3-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
CID 72188282
(1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]methanone
CID 72188283
N-[(2,5-dimethylpyrazol-3-yl)methyl]-N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
CID 72188286

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone (CID 157290415) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone is CCN(Cc1cnn(C)c1)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.CCn1cc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)cn1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCc4c(cnn4C(C)C)C3)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cnn(C)c3C)[nH]c12.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is BASTWDSHEKHXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N9O.C25H27N9O.2C24H25N9O/c1-16(2)36-24-6-8-35(13-19(24)12-30-36)26(37)22-11-18-10-20(9-17(3)25(18)32-22)31-27-28-7-5-21(33-27)23-14-34(4)15-29-23;1-5-34(13-17-11-28-33(4)12-17)24(35)21-10-18-9-19(8-16(2)23(18)30-21)29-25-26-7-6-20(31-25)22-14-32(3)15-27-22;1-14-7-18(29-24-25-6-5-19(31-24)21-12-32(3)13-27-21)8-16-9-20(30-22(14)16)23(34)26-10-17-11-28-33(4)15(17)2;1-4-33-12-16(11-28-33)10-26-23(34)20-9-17-8-18(7-15(2)22(17)30-20)29-24-25-6-5-19(31-24)21-13-32(3)14-27-21/h5,7,9-12,14-16,32H,6,8,13H2,1-4H3,(H,28,31,33);6-12,14-15,30H,5,13H2,1-4H3,(H,26,29,31);5-9,11-13,30H,10H2,1-4H3,(H,26,34)(H,25,29,31);5-9,11-14,30H,4,10H2,1-3H3,(H,26,34)(H,25,29,31).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 1876.20 g/mol, XLogP of 15.13, 25 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;N-ethyl-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(1-methylpyrazol-4-yl)methyl]-1H-indole-2-carboxamide;N-[(1-ethylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1-propan-2-yl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 157290415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).