6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one

C24H23N7O — CID 24827900

IUPAC6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
SMILESCCCn1c(=O)c2ccc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H23N7O/c1-3-14-30-24(32)21-13-8-16(2)25-23(21)31(30)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)22-26-28-29-27-22/h4-13H,3,14-15H2,1-2H3,(H,26,27,28,29)
InChIKeyVVTDICDCDGMMCA-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.81
Rot. Bonds6

About 6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one

6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one (PubChem CID 24827900) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
PubChem CID24827900
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one
SMILESCCCn1c(=O)c2ccc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H23N7O/c1-3-14-30-24(32)21-13-8-16(2)25-23(21)31(30)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)22-26-28-29-27-22/h4-13H,3,14-15H2,1-2H3,(H,26,27,28,29)
InChIKeyVVTDICDCDGMMCA-UHFFFAOYSA-N
XLogP3.81
TPSA94.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one (CID 24827900) is 6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one is CCCn1c(=O)c2ccc(C)nc2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is VVTDICDCDGMMCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-3-14-30-24(32)21-13-8-16(2)25-23(21)31(30)15-17-9-11-18(12-10-17)19-6-4-5-7-20(19)22-26-28-29-27-22/h4-13H,3,14-15H2,1-2H3,(H,26,27,28,29).
What are the key properties of 6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one?
6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 425.50 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 24827900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).