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

C54H44N18O4 — CID 144939819

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;ethane;6-phenyl-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one
SMILESCC.CC.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2nc[nH]c2c1.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2ocnc2c1.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccccc1
InChIInChI=1S/C17H11N7O.C17H10N6O2.C16H11N5O.2C2H6/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;22-16-15-14(17-6-7-18-15)13(11-8-19-20-9-11)10-21(16)12-4-2-1-3-5-12;2*1-2/h1-9H,(H,20,21)(H,22,23);1-9H,(H,21,22);1-10H,(H,19,20);2*1-2H3
InChIKeyGNMBNIKBYHPORJ-UHFFFAOYSA-N
MW1009.07 g/mol
LogP8.58
Rot. Bonds6

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;ethane;6-phenyl-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;ethane;6-phenyl-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one (PubChem CID 144939819) has the molecular formula C54H44N18O4 and a molecular weight of 1009.07 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;ethane;6-phenyl-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;ethane;6-phenyl-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one
PubChem CID144939819
Molecular FormulaC54H44N18O4
Molecular Weight1009.07 g/mol
Exact Mass1008.38
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;ethane;6-phenyl-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one
SMILESCC.CC.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2nc[nH]c2c1.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2ocnc2c1.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccccc1
InChIInChI=1S/C17H11N7O.C17H10N6O2.C16H11N5O.2C2H6/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;22-16-15-14(17-6-7-18-15)13(11-8-19-20-9-11)10-21(16)12-4-2-1-3-5-12;2*1-2/h1-9H,(H,20,21)(H,22,23);1-9H,(H,21,22);1-10H,(H,19,20);2*1-2H3
InChIKeyGNMBNIKBYHPORJ-UHFFFAOYSA-N
XLogP8.58
TPSA284.09 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.07
LogP ≤ 58.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

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

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Launch Full Analysis

Related Compounds

[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 158753757
[(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
[(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-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 169162845
[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[5-methyl-6-(methylamino)pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 169162846
[(4S)-4-(4-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 169162954
[(4S)-4-(5-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 169163189
[6-(4-cyclopropylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163193
[(4S)-4-(7-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 169163250
[6-(dimethylamino)-5-methylpyrazolo[1,5-a]pyridin-3-yl]-[(4S)-4-(5-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 169163378
[(4S)-4-(4-fluoro-1,3-benzoxazol-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyridin-3-yl]methanone
CID 169163385

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;ethane;6-phenyl-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;ethane;6-phenyl-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one (CID 144939819) 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;ethane;6-phenyl-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;ethane;6-phenyl-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;ethane;6-phenyl-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one is CC.CC.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2nc[nH]c2c1.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccc2ocnc2c1.O=c1c2nccnc2c(-c2cn[nH]c2)cn1-c1ccccc1.
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;ethane;6-phenyl-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one?
The InChIKey is GNMBNIKBYHPORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N7O.C17H10N6O2.C16H11N5O.2C2H6/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;22-16-15-14(17-6-7-18-15)13(11-8-19-20-9-11)10-21(16)12-4-2-1-3-5-12;2*1-2/h1-9H,(H,20,21)(H,22,23);1-9H,(H,21,22);1-10H,(H,19,20);2*1-2H3.
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;ethane;6-phenyl-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;ethane;6-phenyl-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one has a molecular weight of 1009.07 g/mol, XLogP of 8.58, 6 rotatable bonds, 4 hydrogen bond donors, and 18 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;ethane;6-phenyl-8-(1H-pyrazol-4-yl)pyrido[3,4-b]pyrazin-5-one is sourced from PubChem (CID 144939819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).