2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid

C19H17FN4O2 — CID 56738905

IUPAC2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C19H17FN4O2/c1-12-2-7-16(19(25)26)18(22-12)23-10-14-8-21-24(17(14)11-23)9-13-3-5-15(20)6-4-13/h2-8H,9-11H2,1H3,(H,25,26)
InChIKeyYWUAQIZCJHXYPS-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.99
Rot. Bonds4

About 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid

2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid (PubChem CID 56738905) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid
PubChem CID56738905
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1
InChIInChI=1S/C19H17FN4O2/c1-12-2-7-16(19(25)26)18(22-12)23-10-14-8-21-24(17(14)11-23)9-13-3-5-15(20)6-4-13/h2-8H,9-11H2,1H3,(H,25,26)
InChIKeyYWUAQIZCJHXYPS-UHFFFAOYSA-N
XLogP2.99
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid (CID 56738905) is 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(N2Cc3cnn(Cc4ccc(F)cc4)c3C2)n1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid?
The InChIKey is YWUAQIZCJHXYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-12-2-7-16(19(25)26)18(22-12)23-10-14-8-21-24(17(14)11-23)9-13-3-5-15(20)6-4-13/h2-8H,9-11H2,1H3,(H,25,26).
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid?
2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid has a molecular weight of 352.37 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl]-6-methylpyridine-3-carboxylic acid is sourced from PubChem (CID 56738905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).