7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide

C100H110Cl4N34O5 — CID 157212740

IUPAC7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.CN1CCN(CCCN(C)C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCN(c6ccccn6)CC5)cc4c3)n2)c1.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)NC5CCC(N6CCOCC6)CC5)cc4c3)n2)c1
InChIInChI=1S/C27H31ClN8O2.C26H24ClN9O.C26H32ClN9O.C21H23ClN8O/c1-35-15-24(30-16-35)22-6-7-29-27(34-22)32-19-12-17-13-23(33-25(17)21(28)14-19)26(37)31-18-2-4-20(5-3-18)36-8-10-38-11-9-36;1-34-15-22(30-16-34)20-5-7-29-26(33-20)31-18-12-17-13-21(32-24(17)19(27)14-18)25(37)36-10-8-35(9-11-36)23-4-2-3-6-28-23;1-33-9-11-36(12-10-33)8-4-7-35(3)25(37)22-14-18-13-19(15-20(27)24(18)31-22)30-26-28-6-5-21(32-26)23-16-34(2)17-29-23;1-29(2)7-6-23-20(31)17-9-13-8-14(10-15(22)19(13)27-17)26-21-24-5-4-16(28-21)18-11-30(3)12-25-18/h6-7,12-16,18,20,33H,2-5,8-11H2,1H3,(H,31,37)(H,29,32,34);2-7,12-16,32H,8-11H2,1H3,(H,29,31,33);5-6,13-17,31H,4,7-12H2,1-3H3,(H,28,30,32);4-5,8-12,27H,6-7H2,1-3H3,(H,23,31)(H,24,26,28)
InChIKeyASBMMHJTDGJVBF-UHFFFAOYSA-N
MW2010.02 g/mol
LogP14.75
Rot. Bonds26

About 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide

7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide (PubChem CID 157212740) has the molecular formula C100H110Cl4N34O5 and a molecular weight of 2010.02 g/mol. Its IUPAC name is 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
PubChem CID157212740
Molecular FormulaC100H110Cl4N34O5
Molecular Weight2010.02 g/mol
Exact Mass2006.82
IUPAC Name7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide
SMILESCN(C)CCNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.CN1CCN(CCCN(C)C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCN(c6ccccn6)CC5)cc4c3)n2)c1.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)NC5CCC(N6CCOCC6)CC5)cc4c3)n2)c1
InChIInChI=1S/C27H31ClN8O2.C26H24ClN9O.C26H32ClN9O.C21H23ClN8O/c1-35-15-24(30-16-35)22-6-7-29-27(34-22)32-19-12-17-13-23(33-25(17)21(28)14-19)26(37)31-18-2-4-20(5-3-18)36-8-10-38-11-9-36;1-34-15-22(30-16-34)20-5-7-29-26(33-20)31-18-12-17-13-21(32-24(17)19(27)14-18)25(37)36-10-8-35(9-11-36)23-4-2-3-6-28-23;1-33-9-11-36(12-10-33)8-4-7-35(3)25(37)22-14-18-13-19(15-20(27)24(18)31-22)30-26-28-6-5-21(32-26)23-16-34(2)17-29-23;1-29(2)7-6-23-20(31)17-9-13-8-14(10-15(22)19(13)27-17)26-21-24-5-4-16(28-21)18-11-30(3)12-25-18/h6-7,12-16,18,20,33H,2-5,8-11H2,1H3,(H,31,37)(H,29,32,34);2-7,12-16,32H,8-11H2,1H3,(H,29,31,33);5-6,13-17,31H,4,7-12H2,1-3H3,(H,28,30,32);4-5,8-12,27H,6-7H2,1-3H3,(H,23,31)(H,24,26,28)
InChIKeyASBMMHJTDGJVBF-UHFFFAOYSA-N
XLogP14.75
TPSA422.82 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds26
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002010.02
LogP ≤ 514.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Analyze 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-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
[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
[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 72188238
[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 72188241
7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 72188242
7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-piperidin-3-yl-1H-indole-2-carboxamide
CID 72188244

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide (CID 157212740) is 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide is CN(C)CCNC(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(Cl)c2[nH]1.CN1CCN(CCCN(C)C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCN(c6ccccn6)CC5)cc4c3)n2)c1.Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)NC5CCC(N6CCOCC6)CC5)cc4c3)n2)c1.
What is the InChIKey of 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide?
The InChIKey is ASBMMHJTDGJVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN8O2.C26H24ClN9O.C26H32ClN9O.C21H23ClN8O/c1-35-15-24(30-16-35)22-6-7-29-27(34-22)32-19-12-17-13-23(33-25(17)21(28)14-19)26(37)31-18-2-4-20(5-3-18)36-8-10-38-11-9-36;1-34-15-22(30-16-34)20-5-7-29-26(33-20)31-18-12-17-13-21(32-24(17)19(27)14-18)25(37)36-10-8-35(9-11-36)23-4-2-3-6-28-23;1-33-9-11-36(12-10-33)8-4-7-35(3)25(37)22-14-18-13-19(15-20(27)24(18)31-22)30-26-28-6-5-21(32-26)23-16-34(2)17-29-23;1-29(2)7-6-23-20(31)17-9-13-8-14(10-15(22)19(13)27-17)26-21-24-5-4-16(28-21)18-11-30(3)12-25-18/h6-7,12-16,18,20,33H,2-5,8-11H2,1H3,(H,31,37)(H,29,32,34);2-7,12-16,32H,8-11H2,1H3,(H,29,31,33);5-6,13-17,31H,4,7-12H2,1-3H3,(H,28,30,32);4-5,8-12,27H,6-7H2,1-3H3,(H,23,31)(H,24,26,28).
What are the key properties of 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide?
7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide has a molecular weight of 2010.02 g/mol, XLogP of 14.75, 26 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(dimethylamino)ethyl]-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indole-2-carboxamide;[7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;7-chloro-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylcyclohexyl)-1H-indole-2-carboxamide;7-chloro-N-methyl-5-[[4-(1-methylimidazol-4-yl)pyrimidin-2-yl]amino]-N-[3-(4-methylpiperazin-1-yl)propyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 157212740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).