4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one

C23H19N5O2 — CID 30213832

IUPAC4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CC(=O)Nc4ccccc43)c12
InChIInChI=1S/C23H19N5O2/c1-14-21-16(23(30)28-13-20(29)24-17-10-6-7-11-19(17)28)12-18(15-8-4-3-5-9-15)25-22(21)27(2)26-14/h3-12H,13H2,1-2H3,(H,24,29)
InChIKeyRNIMMXHTIWDONR-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.54
Rot. Bonds2

About 4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 30213832) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID30213832
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESCc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CC(=O)Nc4ccccc43)c12
InChIInChI=1S/C23H19N5O2/c1-14-21-16(23(30)28-13-20(29)24-17-10-6-7-11-19(17)28)12-18(15-8-4-3-5-9-15)25-22(21)27(2)26-14/h3-12H,13H2,1-2H3,(H,24,29)
InChIKeyRNIMMXHTIWDONR-UHFFFAOYSA-N
XLogP3.54
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-dimethylpyrazole-4-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 103662293
4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 46687734
1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 119349357
4-(4-amino-1,3-dimethylpyrazole-5-carbonyl)-1,3-dihydroquinoxalin-2-one
CID 66121842
5-[[1-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)pyrrolidin-2-yl]methyl]-5-methylimidazolidine-2,4-dione
CID 154836359
N-cyclopropyl-N-[(3S)-2,5-dioxopyrrolidin-3-yl]-1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 94816250
N,1,3-trimethyl-6-phenyl-N-piperidin-4-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 119442612
1,3-dimethyl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16782401
(3,4-dimethoxyphenyl)-[4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 34484289
4-(2-fluoro-4-methylbenzoyl)-1,3-dihydroquinoxalin-2-one
CID 79764947
4-[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]-1,3-dihydroquinoxalin-2-one
CID 71925846
(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridin-4-yl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 43066695

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 30213832) is 4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one is Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CC(=O)Nc4ccccc43)c12.
What is the InChIKey of 4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is RNIMMXHTIWDONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-14-21-16(23(30)28-13-20(29)24-17-10-6-7-11-19(17)28)12-18(15-8-4-3-5-9-15)25-22(21)27(2)26-14/h3-12H,13H2,1-2H3,(H,24,29).
What are the key properties of 4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 397.44 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 30213832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).