2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

C89H106N34O7 — CID 158415631

IUPAC2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESC.C.C.C.COc1ncc2c(n1)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.Cc1ncc2c(n1)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3cc4c(cc3C2)OCO4)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3nccnc3C2)n1
InChIInChI=1S/C23H23N7O3.C21H23N9O2.C21H23N9O.C20H21N9O.4CH4/c31-22(27-18-11-25-3-2-19(18)29-7-5-24-6-8-29)17-1-4-26-23(28-17)30-12-15-9-20-21(33-14-32-20)10-16(15)13-30;1-32-21-25-10-14-12-30(13-17(14)28-21)20-24-5-2-15(27-20)19(31)26-16-11-23-4-3-18(16)29-8-6-22-7-9-29;1-14-25-10-15-12-30(13-18(15)26-14)21-24-5-2-16(28-21)20(31)27-17-11-23-4-3-19(17)29-8-6-22-7-9-29;30-19(26-15-11-22-3-2-18(15)28-9-7-21-8-10-28)14-1-4-25-20(27-14)29-12-16-17(13-29)24-6-5-23-16;;;;/h1-4,9-11,24H,5-8,12-14H2,(H,27,31);2-5,10-11,22H,6-9,12-13H2,1H3,(H,26,31);2-5,10-11,22H,6-9,12-13H2,1H3,(H,27,31);1-6,11,21H,7-10,12-13H2,(H,26,30);4*1H4
InChIKeyGZVZCEUKSHKCBL-UHFFFAOYSA-N
MW1764.06 g/mol
LogP7.17
Rot. Bonds17

About 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide

2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (PubChem CID 158415631) has the molecular formula C89H106N34O7 and a molecular weight of 1764.06 g/mol. Its IUPAC name is 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
PubChem CID158415631
Molecular FormulaC89H106N34O7
Molecular Weight1764.06 g/mol
Exact Mass1762.90
IUPAC Name2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide
SMILESC.C.C.C.COc1ncc2c(n1)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.Cc1ncc2c(n1)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3cc4c(cc3C2)OCO4)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3nccnc3C2)n1
InChIInChI=1S/C23H23N7O3.C21H23N9O2.C21H23N9O.C20H21N9O.4CH4/c31-22(27-18-11-25-3-2-19(18)29-7-5-24-6-8-29)17-1-4-26-23(28-17)30-12-15-9-20-21(33-14-32-20)10-16(15)13-30;1-32-21-25-10-14-12-30(13-17(14)28-21)20-24-5-2-15(27-20)19(31)26-16-11-23-4-3-18(16)29-8-6-22-7-9-29;1-14-25-10-15-12-30(13-18(15)26-14)21-24-5-2-16(28-21)20(31)27-17-11-23-4-3-19(17)29-8-6-22-7-9-29;30-19(26-15-11-22-3-2-18(15)28-9-7-21-8-10-28)14-1-4-25-20(27-14)29-12-16-17(13-29)24-6-5-23-16;;;;/h1-4,9-11,24H,5-8,12-14H2,(H,27,31);2-5,10-11,22H,6-9,12-13H2,1H3,(H,26,31);2-5,10-11,22H,6-9,12-13H2,1H3,(H,27,31);1-6,11,21H,7-10,12-13H2,(H,26,30);4*1H4
InChIKeyGZVZCEUKSHKCBL-UHFFFAOYSA-N
XLogP7.17
TPSA450.15 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds17
Heavy Atoms130
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001764.06
LogP ≤ 57.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Analyze 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide with MolForge

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Related Compounds

2-[5,6-bis(difluoromethoxy)-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-ylpyridin-3-yl)pyrimidine-4-carboxamide
CID 59569318
2-[5-(difluoromethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-N-(4-piperazin-1-ylpyridin-3-yl)pyrimidine-4-carboxamide
CID 59569403
2-[[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-[3-[1-[[4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]hexyl]-4-fluorophenyl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 142198881
N-(1,3-benzodioxol-5-ylmethyl)-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-cyclohexyl-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;N-[(2,4-dimethylphenyl)methyl]-4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine;4-[7-ethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(4-methylphenyl)methyl]pyrimidin-2-amine;2-[[2-(4-fluorophenyl)-3-[2-[[3-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 157122600
2-(3,4-Dimethoxyphenyl)-7-(2-methyl-4-pyridinyl)pyrido[1,2-a]pyrimidin-4-one;2-(2,3-dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;2-(2-ethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one;7-piperazin-1-yl-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]pyrido[1,2-a]pyrimidin-4-one
CID 160495791
[3-[2-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-(cyclohexylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,4-dimethylphenyl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(4-methylphenyl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol;2-[[2-(4-fluorophenyl)-3-[2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]-N,N-dimethylacetamide
CID 161313890
N-[2-[[6-(1,3-benzodioxol-5-ylmethylamino)-9-[(3-fluorophenyl)methyl]purin-2-yl]-methylamino]ethyl]-N-methylpyridine-4-carboxamide
CID 24157581
2-(4-acetylpiperazin-1-yl)-4-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl-methylamino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one;5,6-dihydropyrrolo[3,4-d]pyrimidin-7-one
CID 157303671
1-[2-[2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117090493
1-[2-[2-(1,3-Benzodioxol-5-ylmethylamino)-6-(pyridin-3-ylmethylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117092366
N-[2-(1,3-benzodioxol-5-yl)ethyl]-1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazine-2-carboxamide
CID 22487644
N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-6-methylpyrimidin-4-yl)-4-(pyridine-3-carbonyl)piperazin-2-yl]acetamide
CID 22487751

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide (CID 158415631) is 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is C.C.C.C.COc1ncc2c(n1)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.Cc1ncc2c(n1)CN(c1nccc(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3cc4c(cc3C2)OCO4)n1.O=C(Nc1cnccc1N1CCNCC1)c1ccnc(N2Cc3nccnc3C2)n1.
What is the InChIKey of 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
The InChIKey is GZVZCEUKSHKCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3.C21H23N9O2.C21H23N9O.C20H21N9O.4CH4/c31-22(27-18-11-25-3-2-19(18)29-7-5-24-6-8-29)17-1-4-26-23(28-17)30-12-15-9-20-21(33-14-32-20)10-16(15)13-30;1-32-21-25-10-14-12-30(13-17(14)28-21)20-24-5-2-15(27-20)19(31)26-16-11-23-4-3-18(16)29-8-6-22-7-9-29;1-14-25-10-15-12-30(13-18(15)26-14)21-24-5-2-16(28-21)20(31)27-17-11-23-4-3-19(17)29-8-6-22-7-9-29;30-19(26-15-11-22-3-2-18(15)28-9-7-21-8-10-28)14-1-4-25-20(27-14)29-12-16-17(13-29)24-6-5-23-16;;;;/h1-4,9-11,24H,5-8,12-14H2,(H,27,31);2-5,10-11,22H,6-9,12-13H2,1H3,(H,26,31);2-5,10-11,22H,6-9,12-13H2,1H3,(H,27,31);1-6,11,21H,7-10,12-13H2,(H,26,30);4*1H4.
What are the key properties of 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide?
2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide has a molecular weight of 1764.06 g/mol, XLogP of 7.17, 17 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dihydro-[1,3]dioxolo[4,5-f]isoindol-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(5,7-dihydropyrrolo[3,4-b]pyrazin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;methane;2-(2-methoxy-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(4-piperazin-1-yl-3-pyridinyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 158415631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).