7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide

C97H104Cl4N30O5 — CID 157496790

IUPAC7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide
SMILESCN(C)CC#CCCC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.CN1CCC(N(C)C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1.COC1CN(C2CCN(C(=O)c3cc4cc(Nc5nccc(-c6cn(C)cn6)n5)cc(Cl)c4[nH]3)CC2)C1.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)NC5CCCCC5)cc4c3)n2)c1
InChIInChI=1S/C26H29ClN8O2.C24H27ClN8O.C24H24ClN7O.C23H24ClN7O/c1-33-14-23(29-15-33)21-3-6-28-26(32-21)30-17-9-16-10-22(31-24(16)20(27)11-17)25(36)34-7-4-18(5-8-34)35-12-19(13-35)37-2;1-31-8-5-17(6-9-31)33(3)23(34)20-11-15-10-16(12-18(25)22(15)29-20)28-24-26-7-4-19(30-24)21-13-32(2)14-27-21;1-31(2)10-6-4-5-7-22(33)20-12-16-11-17(13-18(25)23(16)29-20)28-24-26-9-8-19(30-24)21-14-32(3)15-27-21;1-31-12-20(26-13-31)18-7-8-25-23(30-18)28-16-9-14-10-19(29-21(14)17(24)11-16)22(32)27-15-5-3-2-4-6-15/h3,6,9-11,14-15,18-19,31H,4-5,7-8,12-13H2,1-2H3,(H,28,30,32);4,7,10-14,17,29H,5-6,8-9H2,1-3H3,(H,26,28,30);8-9,11-15,29H,5,7,10H2,1-3H3,(H,26,28,30);7-13,15,29H,2-6H2,1H3,(H,27,32)(H,25,28,30)
InChIKeyBXXWBBYZPJDXJN-UHFFFAOYSA-N
MW1911.92 g/mol
LogP16.71
Rot. Bonds23

About 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide

7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide (PubChem CID 157496790) has the molecular formula C97H104Cl4N30O5 and a molecular weight of 1911.92 g/mol. Its IUPAC name is 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide
PubChem CID157496790
Molecular FormulaC97H104Cl4N30O5
Molecular Weight1911.92 g/mol
Exact Mass1908.76
IUPAC Name7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide
SMILESCN(C)CC#CCCC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.CN1CCC(N(C)C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1.COC1CN(C2CCN(C(=O)c3cc4cc(Nc5nccc(-c6cn(C)cn6)n5)cc(Cl)c4[nH]3)CC2)C1.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)NC5CCCCC5)cc4c3)n2)c1
InChIInChI=1S/C26H29ClN8O2.C24H27ClN8O.C24H24ClN7O.C23H24ClN7O/c1-33-14-23(29-15-33)21-3-6-28-26(32-21)30-17-9-16-10-22(31-24(16)20(27)11-17)25(36)34-7-4-18(5-8-34)35-12-19(13-35)37-2;1-31-8-5-17(6-9-31)33(3)23(34)20-11-15-10-16(12-18(25)22(15)29-20)28-24-26-7-4-19(30-24)21-13-32(2)14-27-21;1-31(2)10-6-4-5-7-22(33)20-12-16-11-17(13-18(25)23(16)29-20)28-24-26-9-8-19(30-24)21-14-32(3)15-27-21;1-31-12-20(26-13-31)18-7-8-25-23(30-18)28-16-9-14-10-19(29-21(14)17(24)11-16)22(32)27-15-5-3-2-4-6-15/h3,6,9-11,14-15,18-19,31H,4-5,7-8,12-13H2,1-2H3,(H,28,30,32);4,7,10-14,17,29H,5-6,8-9H2,1-3H3,(H,26,28,30);8-9,11-15,29H,5,7,10H2,1-3H3,(H,26,28,30);7-13,15,29H,2-6H2,1H3,(H,27,32)(H,25,28,30)
InChIKeyBXXWBBYZPJDXJN-UHFFFAOYSA-N
XLogP16.71
TPSA391.42 Ų
H-Bond Donors9
H-Bond Acceptors28
Rotatable Bonds23
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001911.92
LogP ≤ 516.71
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide (CID 157496790) is 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide is CN(C)CC#CCCC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.CN1CCC(N(C)C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1.COC1CN(C2CCN(C(=O)c3cc4cc(Nc5nccc(-c6cn(C)cn6)n5)cc(Cl)c4[nH]3)CC2)C1.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)NC5CCCCC5)cc4c3)n2)c1.
What is the InChIKey of 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide?
The InChIKey is BXXWBBYZPJDXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN8O2.C24H27ClN8O.C24H24ClN7O.C23H24ClN7O/c1-33-14-23(29-15-33)21-3-6-28-26(32-21)30-17-9-16-10-22(31-24(16)20(27)11-17)25(36)34-7-4-18(5-8-34)35-12-19(13-35)37-2;1-31-8-5-17(6-9-31)33(3)23(34)20-11-15-10-16(12-18(25)22(15)29-20)28-24-26-7-4-19(30-24)21-13-32(2)14-27-21;1-31(2)10-6-4-5-7-22(33)20-12-16-11-17(13-18(25)23(16)29-20)28-24-26-9-8-19(30-24)21-14-32(3)15-27-21;1-31-12-20(26-13-31)18-7-8-25-23(30-18)28-16-9-14-10-19(29-21(14)17(24)11-16)22(32)27-15-5-3-2-4-6-15/h3,6,9-11,14-15,18-19,31H,4-5,7-8,12-13H2,1-2H3,(H,28,30,32);4,7,10-14,17,29H,5-6,8-9H2,1-3H3,(H,26,28,30);8-9,11-15,29H,5,7,10H2,1-3H3,(H,26,28,30);7-13,15,29H,2-6H2,1H3,(H,27,32)(H,25,28,30).
What are the key properties of 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide?
7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide has a molecular weight of 1911.92 g/mol, XLogP of 16.71, 23 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-cyclohexyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;1-[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-6-(dimethylamino)hex-4-yn-1-one;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]methanone;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 157496790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).