6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one

C34H21N13O3 — CID 158692570

IUPAC6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one
SMILESO=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2nc[nH]c2c1.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2ocnc2c1
InChIInChI=1S/C17H11N7O.C17H10N6O2/c25-17-16-15(18-3-4-19-16)12(10-6-22-23-7-10)8-24(17)11-1-2-13-14(5-11)21-9-20-13;24-17-16-15(18-3-4-19-16)12(10-6-21-22-7-10)8-23(17)11-1-2-14-13(5-11)20-9-25-14/h1-9H,(H,20,21)(H,22,23);1-9H,(H,21,22)
InChIKeyIGNOROZGFAZBMN-UHFFFAOYSA-N
MW659.63 g/mol
LogP4.36
Rot. Bonds4

About 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one

6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one (PubChem CID 158692570) has the molecular formula C34H21N13O3 and a molecular weight of 659.63 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one
PubChem CID158692570
Molecular FormulaC34H21N13O3
Molecular Weight659.63 g/mol
Exact Mass659.19
IUPAC Name6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one
SMILESO=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2nc[nH]c2c1.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2ocnc2c1
InChIInChI=1S/C17H11N7O.C17H10N6O2/c25-17-16-15(18-3-4-19-16)12(10-6-22-23-7-10)8-24(17)11-1-2-13-14(5-11)21-9-20-13;24-17-16-15(18-3-4-19-16)12(10-6-21-22-7-10)8-23(17)11-1-2-14-13(5-11)20-9-25-14/h1-9H,(H,20,21)(H,22,23);1-9H,(H,21,22)
InChIKeyIGNOROZGFAZBMN-UHFFFAOYSA-N
XLogP4.36
TPSA207.63 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.63
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one with MolForge

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Related Compounds

N-(2-morpholin-4-yl-5-piperidin-1-yl-1,3-benzoxazol-6-yl)-6-(1H-pyrazol-4-yl)pyridine-2-carboxamide
CID 71541802
N-[2-[4-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]-2-(trifluoromethyl)imidazol-1-yl]-1,3-benzoxazol-5-yl]acetamide
CID 167407958
N-[2-[2-[4-[[3-(difluoromethyl)-2H-tetrazol-3-ium-5-yl]-phenylmethyl]piperazine-1-carbonyl]-4-pyridinyl]-1,3-benzoxazol-5-yl]-3-methylimidazole-4-carboxamide
CID 167407978
N-[2-[2-(difluoromethyl)-4-[4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperazine-1-carbonyl]imidazol-1-yl]-1,3-benzoxazol-5-yl]acetamide
CID 167407995
[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-(1-methylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]methanone
CID 169162763
[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 169162775
[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]-[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169162788
[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[4-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazol-5-yl]methanone
CID 169162795
[5-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazol-2-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169162805
[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-fluoropiperidin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 169162808
[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(6-pyridin-2-ylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 169162810
[(4S)-4-(1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-[1-(difluoromethyl)pyrazol-4-yl]-1,3,4-oxadiazol-2-yl]methanone
CID 169162839

Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one (CID 158692570) is 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one is O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2nc[nH]c2c1.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2ocnc2c1.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one?
The InChIKey is IGNOROZGFAZBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7O.C17H10N6O2/c25-17-16-15(18-3-4-19-16)12(10-6-22-23-7-10)8-24(17)11-1-2-13-14(5-11)21-9-20-13;24-17-16-15(18-3-4-19-16)12(10-6-21-22-7-10)8-23(17)11-1-2-14-13(5-11)20-9-25-14/h1-9H,(H,20,21)(H,22,23);1-9H,(H,21,22).
What are the key properties of 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one?
6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one has a molecular weight of 659.63 g/mol, XLogP of 4.36, 4 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one;6-(1,3-benzoxazol-5-yl)-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one is sourced from PubChem (CID 158692570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).