2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid

C19H13N5O3 — CID 3603191

IUPAC2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccncc3)c2C1c1ccccc1C(=O)O
InChIInChI=1S/C19H13N5O3/c20-9-13-14(11-3-1-2-4-12(11)19(25)26)15-16(10-5-7-22-8-6-10)23-24-18(15)27-17(13)21/h1-8,14H,21H2,(H,23,24)(H,25,26)
InChIKeyLFFYQRWJUBIHQS-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.39
Rot. Bonds3

About 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid

2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid (PubChem CID 3603191) has the molecular formula C19H13N5O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid
PubChem CID3603191
Molecular FormulaC19H13N5O3
Molecular Weight359.35 g/mol
Exact Mass359.10
IUPAC Name2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid
SMILESN#CC1=C(N)Oc2n[nH]c(-c3ccncc3)c2C1c1ccccc1C(=O)O
InChIInChI=1S/C19H13N5O3/c20-9-13-14(11-3-1-2-4-12(11)19(25)26)15-16(10-5-7-22-8-6-10)23-24-18(15)27-17(13)21/h1-8,14H,21H2,(H,23,24)(H,25,26)
InChIKeyLFFYQRWJUBIHQS-UHFFFAOYSA-N
XLogP2.39
TPSA137.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid 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 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid?
The IUPAC name of 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid (CID 3603191) is 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid.
What is the SMILES notation for 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid?
The canonical SMILES for 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid is N#CC1=C(N)Oc2n[nH]c(-c3ccncc3)c2C1c1ccccc1C(=O)O.
What is the InChIKey of 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid?
The InChIKey is LFFYQRWJUBIHQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O3/c20-9-13-14(11-3-1-2-4-12(11)19(25)26)15-16(10-5-7-22-8-6-10)23-24-18(15)27-17(13)21/h1-8,14H,21H2,(H,23,24)(H,25,26).
What are the key properties of 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid?
2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid has a molecular weight of 359.35 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-cyano-3-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)benzoic acid is sourced from PubChem (CID 3603191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).