N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide

C96H100N34O5 — CID 158595699

IUPACN,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCC1=NCC(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)=C1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3ccnn3C)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCC3CNC(=O)C3)[nH]c12.Cc1nn(C)cc1CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1
InChIInChI=1S/C25H27N9O.C24H25N9O.C24H24N8O.C23H24N8O2/c1-15-8-19(28-25-26-7-6-20(30-25)22-13-32(3)14-27-22)9-17-10-21(29-23(15)17)24(35)33(4)11-18-12-34(5)31-16(18)2;1-15-9-17(28-24-25-7-6-19(30-24)21-13-31(2)14-26-21)10-16-11-20(29-22(15)16)23(34)32(3)12-18-5-8-27-33(18)4;1-14-6-18(29-24-25-5-4-19(31-24)21-12-32(3)13-28-21)8-17-9-20(30-22(14)17)23(33)27-11-16-7-15(2)26-10-16;1-13-5-16(28-23-24-4-3-17(30-23)19-11-31(2)12-27-19)7-15-8-18(29-21(13)15)22(33)26-10-14-6-20(32)25-9-14/h6-10,12-14,29H,11H2,1-5H3,(H,26,28,30);5-11,13-14,29H,12H2,1-4H3,(H,25,28,30);4-9,12-13,30H,10-11H2,1-3H3,(H,27,33)(H,25,29,31);3-5,7-8,11-12,14,29H,6,9-10H2,1-2H3,(H,25,32)(H,26,33)(H,24,28,30)
InChIKeyHUZRPUOATBQVPN-UHFFFAOYSA-N
MW1810.09 g/mol
LogP12.96
Rot. Bonds24

About N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide

N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 158595699) has the molecular formula C96H100N34O5 and a molecular weight of 1810.09 g/mol. Its IUPAC name is N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide
PubChem CID158595699
Molecular FormulaC96H100N34O5
Molecular Weight1810.09 g/mol
Exact Mass1808.86
IUPAC NameN,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide
SMILESCC1=NCC(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)=C1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3ccnn3C)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCC3CNC(=O)C3)[nH]c12.Cc1nn(C)cc1CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1
InChIInChI=1S/C25H27N9O.C24H25N9O.C24H24N8O.C23H24N8O2/c1-15-8-19(28-25-26-7-6-20(30-25)22-13-32(3)14-27-22)9-17-10-21(29-23(15)17)24(35)33(4)11-18-12-34(5)31-16(18)2;1-15-9-17(28-24-25-7-6-19(30-24)21-13-31(2)14-26-21)10-16-11-20(29-22(15)16)23(34)32(3)12-18-5-8-27-33(18)4;1-14-6-18(29-24-25-5-4-19(31-24)21-12-32(3)13-28-21)8-17-9-20(30-22(14)17)23(33)27-11-16-7-15(2)26-10-16;1-13-5-16(28-23-24-4-3-17(30-23)19-11-31(2)12-27-19)7-15-8-18(29-21(13)15)22(33)26-10-14-6-20(32)25-9-14/h6-10,12-14,29H,11H2,1-5H3,(H,26,28,30);5-11,13-14,29H,12H2,1-4H3,(H,25,28,30);4-9,12-13,30H,10-11H2,1-3H3,(H,27,33)(H,25,29,31);3-5,7-8,11-12,14,29H,6,9-10H2,1-2H3,(H,25,32)(H,26,33)(H,24,28,30)
InChIKeyHUZRPUOATBQVPN-UHFFFAOYSA-N
XLogP12.96
TPSA461.60 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds24
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001810.09
LogP ≤ 512.96
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Analyze N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[2-[4-[[[1-[3-(2,4-dioxo-1,3-diazinan-1-yl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]-methylamino]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 168079804
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-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233683
[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]methanone
CID 71233695
[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

Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide (CID 158595699) is N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide is CC1=NCC(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)=C1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N(C)Cc3ccnn3C)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCC3CNC(=O)C3)[nH]c12.Cc1nn(C)cc1CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(C)c2[nH]1.
What is the InChIKey of N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is HUZRPUOATBQVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O.C24H25N9O.C24H24N8O.C23H24N8O2/c1-15-8-19(28-25-26-7-6-20(30-25)22-13-32(3)14-27-22)9-17-10-21(29-23(15)17)24(35)33(4)11-18-12-34(5)31-16(18)2;1-15-9-17(28-24-25-7-6-19(30-24)21-13-31(2)14-26-21)10-16-11-20(29-22(15)16)23(34)32(3)12-18-5-8-27-33(18)4;1-14-6-18(29-24-25-5-4-19(31-24)21-12-32(3)13-28-21)8-17-9-20(30-22(14)17)23(33)27-11-16-7-15(2)26-10-16;1-13-5-16(28-23-24-4-3-17(30-23)19-11-31(2)12-27-19)7-15-8-18(29-21(13)15)22(33)26-10-14-6-20(32)25-9-14/h6-10,12-14,29H,11H2,1-5H3,(H,26,28,30);5-11,13-14,29H,12H2,1-4H3,(H,25,28,30);4-9,12-13,30H,10-11H2,1-3H3,(H,27,33)(H,25,29,31);3-5,7-8,11-12,14,29H,6,9-10H2,1-2H3,(H,25,32)(H,26,33)(H,24,28,30).
What are the key properties of N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide?
N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 1810.09 g/mol, XLogP of 12.96, 24 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,7-dimethyl-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]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-oxopyrrolidin-3-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 158595699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).