N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide

C93H93N35O4S — CID 158758816

IUPACN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCCn1cc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)c(C)n1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccnn3C)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cncn3C)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cscn3)[nH]c12
InChIInChI=1S/C25H27N9O.2C23H23N9O.C22H20N8OS/c1-5-34-12-18(16(3)32-34)11-27-24(35)21-10-17-9-19(8-15(2)23(17)30-21)29-25-26-7-6-20(31-25)22-13-33(4)14-28-22;1-14-8-16(28-23-24-6-5-18(30-23)20-12-31(2)13-26-20)9-15-10-19(29-21(14)15)22(33)25-11-17-4-7-27-32(17)3;1-14-6-16(28-23-25-5-4-18(30-23)20-11-31(2)13-27-20)7-15-8-19(29-21(14)15)22(33)26-10-17-9-24-12-32(17)3;1-13-5-15(27-22-23-4-3-17(29-22)19-9-30(2)11-25-19)6-14-7-18(28-20(13)14)21(31)24-8-16-10-32-12-26-16/h6-10,12-14,30H,5,11H2,1-4H3,(H,27,35)(H,26,29,31);4-10,12-13,29H,11H2,1-3H3,(H,25,33)(H,24,28,30);4-9,11-13,29H,10H2,1-3H3,(H,26,33)(H,25,28,30);3-7,9-12,28H,8H2,1-2H3,(H,24,31)(H,23,27,29)
InChIKeyIOKFYLVDTKXIBA-UHFFFAOYSA-N
MW1797.07 g/mol
LogP13.81
Rot. Bonds25

About N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide

N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide (PubChem CID 158758816) has the molecular formula C93H93N35O4S and a molecular weight of 1797.07 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
PubChem CID158758816
Molecular FormulaC93H93N35O4S
Molecular Weight1797.07 g/mol
Exact Mass1795.79
IUPAC NameN-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide
SMILESCCn1cc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)c(C)n1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccnn3C)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cncn3C)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cscn3)[nH]c12
InChIInChI=1S/C25H27N9O.2C23H23N9O.C22H20N8OS/c1-5-34-12-18(16(3)32-34)11-27-24(35)21-10-17-9-19(8-15(2)23(17)30-21)29-25-26-7-6-20(31-25)22-13-33(4)14-28-22;1-14-8-16(28-23-24-6-5-18(30-23)20-12-31(2)13-26-20)9-15-10-19(29-21(14)15)22(33)25-11-17-4-7-27-32(17)3;1-14-6-16(28-23-25-5-4-18(30-23)20-11-31(2)13-27-20)7-15-8-19(29-21(14)15)22(33)26-10-17-9-24-12-32(17)3;1-13-5-15(27-22-23-4-3-17(29-22)19-9-30(2)11-25-19)6-14-7-18(28-20(13)14)21(31)24-8-16-10-32-12-26-16/h6-10,12-14,30H,5,11H2,1-4H3,(H,27,35)(H,26,29,31);4-10,12-13,29H,11H2,1-3H3,(H,25,33)(H,24,28,30);4-9,11-13,29H,10H2,1-3H3,(H,26,33)(H,25,28,30);3-7,9-12,28H,8H2,1-2H3,(H,24,31)(H,23,27,29)
InChIKeyIOKFYLVDTKXIBA-UHFFFAOYSA-N
XLogP13.81
TPSA468.43 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds25
Heavy Atoms133
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001797.07
LogP ≤ 513.81
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide with MolForge

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Related Compounds

7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[(5-methyl-2H-pyrrol-3-yl)methyl]-1H-indole-2-carboxamide
CID 148886269
2-aminoacetaldehyde;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxylic acid;N-[2-[7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-2-oxoethyl]formamide;7-methyl-N-[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]-2-(1,3,4-oxadiazol-2-yl)-1H-indol-5-amine
CID 160858815
1-[7-methyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indol-2-yl]propan-1-one
CID 153235210
5-[[4-(6-fluoro-2-pyridinyl)pyrimidin-2-yl]amino]-N,N,7-trimethyl-1H-indole-2-carboxamide
CID 71233770
N,N,7-trimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide
CID 71233732
N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
CID 158549212
N-[(3-methylimidazol-4-yl)methyl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 166213773
(E)-3-(1-ethylpyrazol-4-yl)-N-[(2-methylpyrazol-3-yl)methyl]prop-2-enamide
CID 19292658
N-[[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-1,3-thiazole-5-carboxamide
CID 159502180
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19440629
5-[(4-chloro-2-methylphenoxy)methyl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19288684
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19288632

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
The IUPAC name of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide (CID 158758816) is N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
The canonical SMILES for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide is CCn1cc(CNC(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(C)c3[nH]2)c(C)n1.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3ccnn3C)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cncn3C)[nH]c12.Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NCc3cscn3)[nH]c12.
What is the InChIKey of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
The InChIKey is IOKFYLVDTKXIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O.2C23H23N9O.C22H20N8OS/c1-5-34-12-18(16(3)32-34)11-27-24(35)21-10-17-9-19(8-15(2)23(17)30-21)29-25-26-7-6-20(31-25)22-13-33(4)14-28-22;1-14-8-16(28-23-24-6-5-18(30-23)20-12-31(2)13-26-20)9-15-10-19(29-21(14)15)22(33)25-11-17-4-7-27-32(17)3;1-14-6-16(28-23-25-5-4-18(30-23)20-11-31(2)13-27-20)7-15-8-19(29-21(14)15)22(33)26-10-17-9-24-12-32(17)3;1-13-5-15(27-22-23-4-3-17(29-22)19-9-30(2)11-25-19)6-14-7-18(28-20(13)14)21(31)24-8-16-10-32-12-26-16/h6-10,12-14,30H,5,11H2,1-4H3,(H,27,35)(H,26,29,31);4-10,12-13,29H,11H2,1-3H3,(H,25,33)(H,24,28,30);4-9,11-13,29H,10H2,1-3H3,(H,26,33)(H,25,28,30);3-7,9-12,28H,8H2,1-2H3,(H,24,31)(H,23,27,29).
What are the key properties of N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide?
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide has a molecular weight of 1797.07 g/mol, XLogP of 13.81, 25 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;7-methyl-N-[(3-methylimidazol-4-yl)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]-N-[(2-methylpyrazol-3-yl)methyl]-1H-indole-2-carboxamide;7-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1,3-thiazol-4-ylmethyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 158758816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).