2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

C14H13N7O — CID 171389273

IUPAC2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCn1cc2c(n1)NC(=O)CC2c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H13N7O/c1-21-7-11-10(6-12(22)15-14(11)18-21)8-2-4-9(5-3-8)13-16-19-20-17-13/h2-5,7,10H,6H2,1H3,(H,15,18,22)(H,16,17,19,20)
InChIKeyXRQJZVYBQHZRPK-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.07
Rot. Bonds2

About 2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one

2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 171389273) has the molecular formula C14H13N7O and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID171389273
Molecular FormulaC14H13N7O
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
SMILESCn1cc2c(n1)NC(=O)CC2c1ccc(-c2nn[nH]n2)cc1
InChIInChI=1S/C14H13N7O/c1-21-7-11-10(6-12(22)15-14(11)18-21)8-2-4-9(5-3-8)13-16-19-20-17-13/h2-5,7,10H,6H2,1H3,(H,15,18,22)(H,16,17,19,20)
InChIKeyXRQJZVYBQHZRPK-UHFFFAOYSA-N
XLogP1.07
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421402
2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171910545
4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421577
3-tert-butyl-4-[4-(2H-tetrazol-5-yl)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171914995
(4R)-4-methyl-6-[4-(2H-tetrazol-5-yl)phenyl]-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 137153174
2-ethyl-4-[4-(pyridin-2-ylmethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171915522
5-[4-[4-(azetidin-1-yl)cyclohexyl]phenyl]-2H-tetrazole
CID 141283396
2-ethyl-4-(2-ethylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169411275
2-ethyl-4-(4-methoxy-3-methylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one;formic acid
CID 171339699
4-methyl-1-[[4-(2H-tetrazol-5-yl)phenyl]methyl]piperidine
CID 3244608
8-[4-(2H-tetrazol-5-yl)phenyl]-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine
CID 23651394
4-(7-methyl-1,7-diazaspiro[3.5]nonane-1-carbonyl)-1-[4-(2H-tetrazol-5-yl)phenyl]pyrrolidin-2-one
CID 166312596

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one (CID 171389273) is 2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is Cn1cc2c(n1)NC(=O)CC2c1ccc(-c2nn[nH]n2)cc1.
What is the InChIKey of 2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is XRQJZVYBQHZRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N7O/c1-21-7-11-10(6-12(22)15-14(11)18-21)8-2-4-9(5-3-8)13-16-19-20-17-13/h2-5,7,10H,6H2,1H3,(H,15,18,22)(H,16,17,19,20).
What are the key properties of 2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one?
2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 295.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2H-tetrazol-5-yl)phenyl]-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 171389273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).