2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C118H129N35O12 — CID 158688391

IUPAC2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.COc1cc2c(cc1OC)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.COc1ccc2c(c1)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.COc1cccc(C2CCN(c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)C2)c1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C25H29N7O2.C24H25N7O4.C24H27N7O3.C23H25N7O2.C22H23N7O/c1-34-20-4-2-3-18(15-20)19-7-12-32(17-19)25-28-9-5-21(30-25)24(33)29-22-16-27-8-6-23(22)31-13-10-26-11-14-31;1-34-20-11-15-14-31(23(33)16(15)12-21(20)35-2)24-27-6-3-17(29-24)22(32)28-18-13-26-5-4-19(18)30-9-7-25-8-10-30;1-33-21-11-16-14-31(15-17(16)12-22(21)34-2)24-27-6-3-18(29-24)23(32)28-19-13-26-5-4-20(19)30-9-7-25-8-10-30;1-32-18-3-2-16-14-30(15-17(16)12-18)23-26-7-4-19(28-23)22(31)27-20-13-25-6-5-21(20)29-10-8-24-9-11-29;30-21(26-19-13-24-7-6-20(19)28-11-9-23-10-12-28)18-5-8-25-22(27-18)29-14-16-3-1-2-4-17(16)15-29/h2-6,8-9,15-16,19,26H,7,10-14,17H2,1H3,(H,29,33);3-6,11-13,25H,7-10,14H2,1-2H3,(H,28,32);3-6,11-13,25H,7-10,14-15H2,1-2H3,(H,28,32);2-7,12-13,24H,8-11,14-15H2,1H3,(H,27,31);1-8,13,23H,9-12,14-15H2,(H,26,30)
InChIKeyIGAMCRDIYDAACW-UHFFFAOYSA-N
MW2229.56 g/mol
LogP10.43
Rot. Bonds27

About 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 158688391) has the molecular formula C118H129N35O12 and a molecular weight of 2229.56 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID158688391
Molecular FormulaC118H129N35O12
Molecular Weight2229.56 g/mol
Exact Mass2228.06
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESCOc1cc2c(cc1OC)C(=O)N(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.COc1cc2c(cc1OC)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.COc1ccc2c(c1)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.COc1cccc(C2CCN(c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)C2)c1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccccc3C2)n1
InChIInChI=1S/C25H29N7O2.C24H25N7O4.C24H27N7O3.C23H25N7O2.C22H23N7O/c1-34-20-4-2-3-18(15-20)19-7-12-32(17-19)25-28-9-5-21(30-25)24(33)29-22-16-27-8-6-23(22)31-13-10-26-11-14-31;1-34-20-11-15-14-31(23(33)16(15)12-21(20)35-2)24-27-6-3-17(29-24)22(32)28-18-13-26-5-4-19(18)30-9-7-25-8-10-30;1-33-21-11-16-14-31(15-17(16)12-22(21)34-2)24-27-6-3-18(29-24)23(32)28-19-13-26-5-4-20(19)30-9-7-25-8-10-30;1-32-18-3-2-16-14-30(15-17(16)12-18)23-26-7-4-19(28-23)22(31)27-20-13-25-6-5-21(20)29-10-8-24-9-11-29;30-21(26-19-13-24-7-6-20(19)28-11-9-23-10-12-28)18-5-8-25-22(27-18)29-14-16-3-1-2-4-17(16)15-29/h2-6,8-9,15-16,19,26H,7,10-14,17H2,1H3,(H,29,33);3-6,11-13,25H,7-10,14H2,1-2H3,(H,28,32);3-6,11-13,25H,7-10,14-15H2,1-2H3,(H,28,32);2-7,12-13,24H,8-11,14-15H2,1H3,(H,27,31);1-8,13,23H,9-12,14-15H2,(H,26,30)
InChIKeyIGAMCRDIYDAACW-UHFFFAOYSA-N
XLogP10.43
TPSA503.85 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds27
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002229.56
LogP ≤ 510.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Analyze 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

Indolicidin & Diaveridine
CID 16130478
4-[[4-[[4-(3,5-difluorophenyl)piperidin-1-yl]methyl]phenyl]methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(3-oxo-4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methoxy]-3H-isoindol-1-one;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]methoxy]-3H-isoindol-1-one;hydrochloride
CID 158249133
4-(4-benzylpiperazin-1-yl)-2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]-3H-isoindol-1-one;4-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]-4-piperazin-1-yl-3H-isoindol-1-one
CID 159067542
3-(3,8-dihydro-2H-[1,4]dioxino[2,3-f]indol-7-ylamino)-N-methylbenzamide;N-methyl-3-[methyl-[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[methyl-[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-phenyl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-5-pyridin-3-yl-6-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide;N-methyl-3-[[1-methyl-6-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-2-yl]amino]benzamide
CID 159409798
(5R)-5-[2-(3,4-difluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(4-fluorophenyl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[5-(2-methylimidazol-1-yl)-3-pyridinyl]ethynyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(2-pyridin-3-ylethynyl)imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[4-(trifluoromethoxy)phenyl]ethynyl]imidazolidine-2,4-dione
CID 159585344
(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1-methylimidazol-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methylpyridazin-3-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(2-methyl-4-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[6-(trifluoromethyl)-3-pyridinyl]phenyl]imidazolidine-2,4-dione
CID 160346431
(5R)-5-[4-(3-fluoro-4-pyridinyl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(6-methyl-3-pyridinyl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[4-(trifluoromethyl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
CID 160943795
2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[(4-methylpyrimidin-2-yl)amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-(1-methyltetrazol-5-yl)sulfanylbutyl]-4-piperazin-1-yl-3H-isoindol-1-one;2-[(1R)-1-(3,4-dimethoxyphenyl)-4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butyl]-4-(4-ethylpiperazin-1-yl)-3H-isoindol-1-one
CID 161110360
6-[5,6-bis(2-methoxyethoxy)-3-oxo-1H-isoindol-2-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 25175720
6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyridine-2-carboxamide
CID 59569296
2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 59569298
tert-butyl 4-[3-[[6-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)pyridine-2-carbonyl]amino]-4-pyridinyl]piperazine-1-carboxylate
CID 59569503

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 158688391) is 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.COc1cc2c(cc1OC)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.COc1ccc2c(c1)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.COc1cccc(C2CCN(c3nccc(C(=O)Nc4cnccc4N4CCNCC4)n3)C2)c1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3ccccc3C2)n1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is IGAMCRDIYDAACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O2.C24H25N7O4.C24H27N7O3.C23H25N7O2.C22H23N7O/c1-34-20-4-2-3-18(15-20)19-7-12-32(17-19)25-28-9-5-21(30-25)24(33)29-22-16-27-8-6-23(22)31-13-10-26-11-14-31;1-34-20-11-15-14-31(23(33)16(15)12-21(20)35-2)24-27-6-3-17(29-24)22(32)28-18-13-26-5-4-19(18)30-9-7-25-8-10-30;1-33-21-11-16-14-31(15-17(16)12-22(21)34-2)24-27-6-3-18(29-24)23(32)28-19-13-26-5-4-20(19)30-9-7-25-8-10-30;1-32-18-3-2-16-14-30(15-17(16)12-18)23-26-7-4-19(28-23)22(31)27-20-13-25-6-5-21(20)29-10-8-24-9-11-29;30-21(26-19-13-24-7-6-20(19)28-11-9-23-10-12-28)18-5-8-25-22(27-18)29-14-16-3-1-2-4-17(16)15-29/h2-6,8-9,15-16,19,26H,7,10-14,17H2,1H3,(H,29,33);3-6,11-13,25H,7-10,14H2,1-2H3,(H,28,32);3-6,11-13,25H,7-10,14-15H2,1-2H3,(H,28,32);2-7,12-13,24H,8-11,14-15H2,1H3,(H,27,31);1-8,13,23H,9-12,14-15H2,(H,26,30).
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 2229.56 g/mol, XLogP of 10.43, 27 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5-methoxy-1,3-dihydroisoindol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-[3-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 158688391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).