6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

C105H110ClN27O13 — CID 158726315

IUPAC6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cc(N2CCNCC2)ccn1)c1cccc(N2Cc3c(Cl)cccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)n1
InChIInChI=1S/C29H33N7O4.C28H32N8O3.C25H24N6O4.C23H21ClN6O2/c37-28(33-25-19-31-7-6-26(25)35-10-8-30-9-11-35)24-2-1-3-27(32-24)36-20-21-18-22(4-5-23(21)29(36)38)40-17-14-34-12-15-39-16-13-34;37-27(32-22-20-30-9-8-23(22)34-12-10-29-11-13-34)21-4-3-7-26(31-21)36-25-6-2-1-5-24(25)35(28(36)38)15-14-33-16-18-39-19-17-33;1-35-25(34)16-5-6-17-15-31(24(33)18(17)13-16)22-4-2-3-19(28-22)23(32)29-20-14-27-8-7-21(20)30-11-9-26-10-12-30;24-18-4-1-3-16-17(18)14-30(23(16)32)21-6-2-5-19(27-21)22(31)28-20-13-15(7-8-26-20)29-11-9-25-10-12-29/h1-7,18-19,30H,8-17,20H2,(H,33,37);1-9,20,29H,10-19H2,(H,32,37);2-8,13-14,26H,9-12,15H2,1H3,(H,29,32);1-8,13,25H,9-12,14H2,(H,26,28,31)
InChIKeyIKNUODBNYUUCFS-UHFFFAOYSA-N
MW1993.66 g/mol
LogP8.62
Rot. Bonds24

About 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide

6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 158726315) has the molecular formula C105H110ClN27O13 and a molecular weight of 1993.66 g/mol. Its IUPAC name is 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID158726315
Molecular FormulaC105H110ClN27O13
Molecular Weight1993.66 g/mol
Exact Mass1991.85
IUPAC Name6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCOC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cc(N2CCNCC2)ccn1)c1cccc(N2Cc3c(Cl)cccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)n1
InChIInChI=1S/C29H33N7O4.C28H32N8O3.C25H24N6O4.C23H21ClN6O2/c37-28(33-25-19-31-7-6-26(25)35-10-8-30-9-11-35)24-2-1-3-27(32-24)36-20-21-18-22(4-5-23(21)29(36)38)40-17-14-34-12-15-39-16-13-34;37-27(32-22-20-30-9-8-23(22)34-12-10-29-11-13-34)21-4-3-7-26(31-21)36-25-6-2-1-5-24(25)35(28(36)38)15-14-33-16-18-39-19-17-33;1-35-25(34)16-5-6-17-15-31(24(33)18(17)13-16)22-4-2-3-19(28-22)23(32)29-20-14-27-8-7-21(20)30-11-9-26-10-12-30;24-18-4-1-3-16-17(18)14-30(23(16)32)21-6-2-5-19(27-21)22(31)28-20-13-15(7-8-26-20)29-11-9-25-10-12-29/h1-7,18-19,30H,8-17,20H2,(H,33,37);1-9,20,29H,10-19H2,(H,32,37);2-8,13-14,26H,9-12,15H2,1H3,(H,29,32);1-8,13,25H,9-12,14H2,(H,26,28,31)
InChIKeyIKNUODBNYUUCFS-UHFFFAOYSA-N
XLogP8.62
TPSA428.93 Ų
H-Bond Donors8
H-Bond Acceptors33
Rotatable Bonds24
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001993.66
LogP ≤ 58.62
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1033

Analyze 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(6-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-(7-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;6-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 159997255
2-[5-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(6-methoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[5-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 158500904
2-[5-methoxy-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 59503865
2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569538
tert-butyl 4-[3-[[6-[6-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 59569343
6-(6,7-dimethoxy-1-oxo-3,4-dihydroisoquinolin-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25174567
6-(2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25175229
tert-butyl 4-[3-[(6-bromopyridine-2-carbonyl)amino]-4-pyridinyl]piperazine-1-carboxylate;tert-butyl 4-[3-[[6-(5-methoxy-3-oxo-1H-isoindol-2-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 162085304
2-[6-[2-(dimethylamino)ethoxy]-3-oxo-1H-isoindol-2-yl]-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide
CID 59332426
6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(2-piperazin-1-ylphenyl)pyrazine-2-carboxamide
CID 59569238
6-[(2-methoxyphenyl)carbamoylamino]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25176017
N-(5-cyano-2-piperazin-1-ylphenyl)-2-(3-methyl-2-oxobenzimidazol-1-yl)-1,3-thiazole-4-carboxamide;N-[2-(1,4-diazepan-1-yl)-5-fluorophenyl]-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1,3-thiazole-4-carboxamide;2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(5-fluoro-2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-(3,3-dimethyl-2-oxoindol-1-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;N-(5-fluoro-2-piperazin-1-ylphenyl)-2-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1,3-thiazole-4-carboxamide
CID 159300528

Frequently Asked Questions

What is the IUPAC name of 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide (CID 158726315) is 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cc(N2CCNCC2)ccn1)c1cccc(N2Cc3c(Cl)cccc3C2=O)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(-n2c(=O)n(CCN3CCOCC3)c3ccccc32)n1.O=C(Nc1cnccc1N1CCNCC1)c1cccc(N2Cc3cc(OCCN4CCOCC4)ccc3C2=O)n1.
What is the InChIKey of 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is IKNUODBNYUUCFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N7O4.C28H32N8O3.C25H24N6O4.C23H21ClN6O2/c37-28(33-25-19-31-7-6-26(25)35-10-8-30-9-11-35)24-2-1-3-27(32-24)36-20-21-18-22(4-5-23(21)29(36)38)40-17-14-34-12-15-39-16-13-34;37-27(32-22-20-30-9-8-23(22)34-12-10-29-11-13-34)21-4-3-7-26(31-21)36-25-6-2-1-5-24(25)35(28(36)38)15-14-33-16-18-39-19-17-33;1-35-25(34)16-5-6-17-15-31(24(33)18(17)13-16)22-4-2-3-19(28-22)23(32)29-20-14-27-8-7-21(20)30-11-9-26-10-12-30;24-18-4-1-3-16-17(18)14-30(23(16)32)21-6-2-5-19(27-21)22(31)28-20-13-15(7-8-26-20)29-11-9-25-10-12-29/h1-7,18-19,30H,8-17,20H2,(H,33,37);1-9,20,29H,10-19H2,(H,32,37);2-8,13-14,26H,9-12,15H2,1H3,(H,29,32);1-8,13,25H,9-12,14H2,(H,26,28,31).
What are the key properties of 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide?
6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 1993.66 g/mol, XLogP of 8.62, 24 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-2-pyridinyl)pyridine-2-carboxamide;methyl 3-oxo-2-[6-[(4-piperazin-1-yl-3-pyridinyl)carbamoyl]-2-pyridinyl]-1H-isoindole-5-carboxylate;6-[6-(2-morpholin-4-ylethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide;6-[3-(2-morpholin-4-ylethyl)-2-oxobenzimidazol-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 158726315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).