7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide

C88H97Cl3N28O5 — CID 157201931

IUPAC7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
SMILESCC(C)Cn1c(C(=O)N(C)C)cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c21.CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2n1C.COCCn1c(C(=O)N(C)C)cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c21.Cc1cc(Nc2nccc(-c3cn(CC(C)C)cn3)n2)cc2cc(C(=O)N(C)C)[nH]c12
InChIInChI=1S/C23H26ClN7O.C23H27N7O.C22H24ClN7O2.C20H20ClN7O/c1-14(2)11-31-20(22(32)29(3)4)9-15-8-16(10-17(24)21(15)31)27-23-25-7-6-18(28-23)19-12-30(5)13-26-19;1-14(2)11-30-12-20(25-13-30)18-6-7-24-23(28-18)26-17-8-15(3)21-16(9-17)10-19(27-21)22(31)29(4)5;1-28(2)21(31)19-10-14-9-15(11-16(23)20(14)30(19)7-8-32-4)26-22-24-6-5-17(27-22)18-12-29(3)13-25-18;1-26(2)19(29)17-8-12-7-13(9-14(21)18(12)28(17)4)24-20-22-6-5-15(25-20)16-10-27(3)11-23-16/h6-10,12-14H,11H2,1-5H3,(H,25,27,28);6-10,12-14,27H,11H2,1-5H3,(H,24,26,28);5-6,9-13H,7-8H2,1-4H3,(H,24,26,27);5-11H,1-4H3,(H,22,24,25)
InChIKeyAQWXOGGOAQRGKC-UHFFFAOYSA-N
MW1733.29 g/mol
LogP15.86
Rot. Bonds23

About 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide

7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide (PubChem CID 157201931) has the molecular formula C88H97Cl3N28O5 and a molecular weight of 1733.29 g/mol. Its IUPAC name is 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
PubChem CID157201931
Molecular FormulaC88H97Cl3N28O5
Molecular Weight1733.29 g/mol
Exact Mass1730.73
IUPAC Name7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
SMILESCC(C)Cn1c(C(=O)N(C)C)cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c21.CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2n1C.COCCn1c(C(=O)N(C)C)cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c21.Cc1cc(Nc2nccc(-c3cn(CC(C)C)cn3)n2)cc2cc(C(=O)N(C)C)[nH]c12
InChIInChI=1S/C23H26ClN7O.C23H27N7O.C22H24ClN7O2.C20H20ClN7O/c1-14(2)11-31-20(22(32)29(3)4)9-15-8-16(10-17(24)21(15)31)27-23-25-7-6-18(28-23)19-12-30(5)13-26-19;1-14(2)11-30-12-20(25-13-30)18-6-7-24-23(28-18)26-17-8-15(3)21-16(9-17)10-19(27-21)22(31)29(4)5;1-28(2)21(31)19-10-14-9-15(11-16(23)20(14)30(19)7-8-32-4)26-22-24-6-5-17(27-22)18-12-29(3)13-25-18;1-26(2)19(29)17-8-12-7-13(9-14(21)18(12)28(17)4)24-20-22-6-5-15(25-20)16-10-27(3)11-23-16/h6-10,12-14H,11H2,1-5H3,(H,25,27,28);6-10,12-14,27H,11H2,1-5H3,(H,24,26,28);5-6,9-13H,7-8H2,1-4H3,(H,24,26,27);5-11H,1-4H3,(H,22,24,25)
InChIKeyAQWXOGGOAQRGKC-UHFFFAOYSA-N
XLogP15.86
TPSA343.57 Ų
H-Bond Donors5
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001733.29
LogP ≤ 515.86
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1028

Analyze 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide with MolForge

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Related Compounds

1-[1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carbonyl]piperidin-4-yl]-3-methylimidazolidin-2-one
CID 72188237
[7-chloro-5-[[4-(1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 89866675
9-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carbonyl]-1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-2-one
CID 89866688
1-[1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 89866690
[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 72188212
7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
CID 72188214
7-chloro-N,N-dimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
CID 72188223
7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide
CID 72188229
[7-chloro-5-[[4-(1-cyclopropylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 72188230
[4-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 72188233
7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 72188234
7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)-1H-indole-2-carboxamide
CID 72188236

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide (CID 157201931) is 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide is CC(C)Cn1c(C(=O)N(C)C)cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c21.CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2n1C.COCCn1c(C(=O)N(C)C)cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c21.Cc1cc(Nc2nccc(-c3cn(CC(C)C)cn3)n2)cc2cc(C(=O)N(C)C)[nH]c12.
What is the InChIKey of 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?
The InChIKey is AQWXOGGOAQRGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN7O.C23H27N7O.C22H24ClN7O2.C20H20ClN7O/c1-14(2)11-31-20(22(32)29(3)4)9-15-8-16(10-17(24)21(15)31)27-23-25-7-6-18(28-23)19-12-30(5)13-26-19;1-14(2)11-30-12-20(25-13-30)18-6-7-24-23(28-18)26-17-8-15(3)21-16(9-17)10-19(27-21)22(31)29(4)5;1-28(2)21(31)19-10-14-9-15(11-16(23)20(14)30(19)7-8-32-4)26-22-24-6-5-17(27-22)18-12-29(3)13-25-18;1-26(2)19(29)17-8-12-7-13(9-14(21)18(12)28(17)4)24-20-22-6-5-15(25-20)16-10-27(3)11-23-16/h6-10,12-14H,11H2,1-5H3,(H,25,27,28);6-10,12-14,27H,11H2,1-5H3,(H,24,26,28);5-6,9-13H,7-8H2,1-4H3,(H,24,26,27);5-11H,1-4H3,(H,22,24,25).
What are the key properties of 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide?
7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide has a molecular weight of 1733.29 g/mol, XLogP of 15.86, 23 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1-(2-methylpropyl)indole-2-carboxamide;7-chloro-1-(2-methoxyethyl)-N,N-dimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;7-chloro-N,N,1-trimethyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]indole-2-carboxamide;N,N,7-trimethyl-5-[[4-[1-(2-methylpropyl)imidazol-4-yl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide is sourced from PubChem (CID 157201931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).