4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one

C23H19N7O2 — CID 135355125

IUPAC4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
SMILESCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C23H19N7O2/c1-29-14-20(19(11-22(29)31)15-7-9-17(32-2)10-8-15)16-12-24-30(13-16)21-6-4-3-5-18(21)23-25-27-28-26-23/h3-14H,1-2H3,(H,25,26,27,28)
InChIKeyKEGQJUMXRVTPLW-UHFFFAOYSA-N
MW425.45 g/mol
LogP3.09
Rot. Bonds5

About 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one

4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one (PubChem CID 135355125) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
PubChem CID135355125
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one
SMILESCOc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C23H19N7O2/c1-29-14-20(19(11-22(29)31)15-7-9-17(32-2)10-8-15)16-12-24-30(13-16)21-6-4-3-5-18(21)23-25-27-28-26-23/h3-14H,1-2H3,(H,25,26,27,28)
InChIKeyKEGQJUMXRVTPLW-UHFFFAOYSA-N
XLogP3.09
TPSA103.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one?
The IUPAC name of 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one (CID 135355125) is 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one?
The canonical SMILES for 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one is COc1ccc(-c2cc(=O)n(C)cc2-c2cnn(-c3ccccc3-c3nn[nH]n3)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one?
The InChIKey is KEGQJUMXRVTPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O2/c1-29-14-20(19(11-22(29)31)15-7-9-17(32-2)10-8-15)16-12-24-30(13-16)21-6-4-3-5-18(21)23-25-27-28-26-23/h3-14H,1-2H3,(H,25,26,27,28).
What are the key properties of 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one?
4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one has a molecular weight of 425.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-methyl-5-[1-[2-(2H-tetrazol-5-yl)phenyl]pyrazol-4-yl]pyridin-2-one is sourced from PubChem (CID 135355125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).