7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone

C91H88Cl3N25O8 — CID 158169967

IUPAC7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
SMILESCN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1.COCc1ccnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N(C)C)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1
InChIInChI=1S/C25H26ClN7O2.C24H24N6O3.C22H21ClN6O2.C20H17ClN6O/c1-32-7-9-33(10-8-32)24(34)22-13-17-12-18(14-19(26)23(17)30-22)29-25-28-6-4-20(31-25)21-11-16(15-35-2)3-5-27-21;1-32-15-16-4-6-25-21(12-16)20-5-7-26-24(29-20)27-18-2-3-19-17(13-18)14-22(28-19)23(31)30-8-10-33-11-9-30;1-29(2)21(30)19-10-14-9-15(11-16(23)20(14)27-19)26-22-25-7-5-17(28-22)18-8-13(12-31-3)4-6-24-18;1-27(2)19(28)17-10-12-9-13(11-14(21)18(12)25-17)24-20-23-8-6-16(26-20)15-5-3-4-7-22-15/h3-6,11-14,30H,7-10,15H2,1-2H3,(H,28,29,31);2-7,12-14,28H,8-11,15H2,1H3,(H,26,27,29);4-11,27H,12H2,1-3H3,(H,25,26,28);3-11,25H,1-2H3,(H,23,24,26)
InChIKeyFXIHLRMBOWIXJC-UHFFFAOYSA-N
MW1766.23 g/mol
LogP15.72
Rot. Bonds22

About 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone

7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone (PubChem CID 158169967) has the molecular formula C91H88Cl3N25O8 and a molecular weight of 1766.23 g/mol. Its IUPAC name is 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
PubChem CID158169967
Molecular FormulaC91H88Cl3N25O8
Molecular Weight1766.23 g/mol
Exact Mass1763.63
IUPAC Name7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
SMILESCN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1.COCc1ccnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N(C)C)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1
InChIInChI=1S/C25H26ClN7O2.C24H24N6O3.C22H21ClN6O2.C20H17ClN6O/c1-32-7-9-33(10-8-32)24(34)22-13-17-12-18(14-19(26)23(17)30-22)29-25-28-6-4-20(31-25)21-11-16(15-35-2)3-5-27-21;1-32-15-16-4-6-25-21(12-16)20-5-7-26-24(29-20)27-18-2-3-19-17(13-18)14-22(28-19)23(31)30-8-10-33-11-9-30;1-29(2)21(30)19-10-14-9-15(11-16(23)20(14)27-19)26-22-25-7-5-17(28-22)18-8-13(12-31-3)4-6-24-18;1-27(2)19(28)17-10-12-9-13(11-14(21)18(12)25-17)24-20-23-8-6-16(26-20)15-5-3-4-7-22-15/h3-6,11-14,30H,7-10,15H2,1-2H3,(H,28,29,31);2-7,12-14,28H,8-11,15H2,1H3,(H,26,27,29);4-11,27H,12H2,1-3H3,(H,25,26,28);3-11,25H,1-2H3,(H,23,24,26)
InChIKeyFXIHLRMBOWIXJC-UHFFFAOYSA-N
XLogP15.72
TPSA387.36 Ų
H-Bond Donors8
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001766.23
LogP ≤ 515.72
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1025

Analyze 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone
CID 71233736
[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 71233755
7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide
CID 71233805
1-[1-[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indole-2-carbonyl]piperidin-4-yl]pyrrolidin-2-one
CID 71233867
7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-1H-indole-2-carboxamide
CID 71233868
7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indole-2-carboxamide
CID 117656658
[5-[[4-[5-[2-[[2-[hydroxy-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methyl]-1H-indol-5-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 123886286
7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]-1-methylpyrimidin-1-ium-2-yl]amino]-N-methyl-1H-indole-2-carboxamide
CID 123950751
7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-[2-(methylamino)ethyl]-1H-indole-2-carboxamide
CID 124003940
[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(1,4-oxazepan-4-yl)methanone;5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N-methyl-N-(oxan-4-yl)-1H-indole-2-carboxamide
CID 157129424
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
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

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone (CID 158169967) is 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone is CN(C)C(=O)c1cc2cc(Nc3nccc(-c4ccccn4)n3)cc(Cl)c2[nH]1.COCc1ccnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N(C)C)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1.COCc1ccnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCOCC5)cc4c3)n2)c1.
What is the InChIKey of 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?
The InChIKey is FXIHLRMBOWIXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN7O2.C24H24N6O3.C22H21ClN6O2.C20H17ClN6O/c1-32-7-9-33(10-8-32)24(34)22-13-17-12-18(14-19(26)23(17)30-22)29-25-28-6-4-20(31-25)21-11-16(15-35-2)3-5-27-21;1-32-15-16-4-6-25-21(12-16)20-5-7-26-24(29-20)27-18-2-3-19-17(13-18)14-22(28-19)23(31)30-8-10-33-11-9-30;1-29(2)21(30)19-10-14-9-15(11-16(23)20(14)27-19)26-22-25-7-5-17(28-22)18-8-13(12-31-3)4-6-24-18;1-27(2)19(28)17-10-12-9-13(11-14(21)18(12)25-17)24-20-23-8-6-16(26-20)15-5-3-4-7-22-15/h3-6,11-14,30H,7-10,15H2,1-2H3,(H,28,29,31);2-7,12-14,28H,8-11,15H2,1H3,(H,26,27,29);4-11,27H,12H2,1-3H3,(H,25,26,28);3-11,25H,1-2H3,(H,23,24,26).
What are the key properties of 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone?
7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone has a molecular weight of 1766.23 g/mol, XLogP of 15.72, 22 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N,N-dimethyl-5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1H-indole-2-carboxamide;7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-N,N-dimethyl-1H-indole-2-carboxamide;[7-chloro-5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-(4-methylpiperazin-1-yl)methanone;[5-[[4-[4-(methoxymethyl)-2-pyridinyl]pyrimidin-2-yl]amino]-1H-indol-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 158169967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).