(E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid

C18H14N6O2 — CID 138539576

IUPAC(E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncnn3c2/C=C/C(=O)O)n1
InChIInChI=1S/C18H14N6O2/c1-11-3-2-4-14(22-11)18-13(9-20-23-18)12-5-7-16-19-10-21-24(16)15(12)6-8-17(25)26/h2-10H,1H3,(H,20,23)(H,25,26)/b8-6+
InChIKeyDDNAVOIEBYHVRE-SOFGYWHQSA-N
MW346.35 g/mol
LogP2.59
Rot. Bonds4

About (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid

(E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid (PubChem CID 138539576) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid
PubChem CID138539576
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name(E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid
SMILESCc1cccc(-c2[nH]ncc2-c2ccc3ncnn3c2/C=C/C(=O)O)n1
InChIInChI=1S/C18H14N6O2/c1-11-3-2-4-14(22-11)18-13(9-20-23-18)12-5-7-16-19-10-21-24(16)15(12)6-8-17(25)26/h2-10H,1H3,(H,20,23)(H,25,26)/b8-6+
InChIKeyDDNAVOIEBYHVRE-SOFGYWHQSA-N
XLogP2.59
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid with MolForge

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Related Compounds

5-methyl-6-(5-pyridin-2-yl-1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 10016289
N-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-4-carboxamide
CID 167366451
2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-piperidin-1-yl-1,5-naphthyridine
CID 167367153
2-pyrrolidin-1-ylethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridine-3-carboxylate
CID 167366803
N-methyl-6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-amine
CID 167366750
3-[3-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]-1,2,5-thiadiazole
CID 69351411
2-[(3R,5S)-3,5-dimethylpiperazin-1-yl]ethyl 6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline-4-carboxylate
CID 167366460
6-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazin-2-amine
CID 167366670
5-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-1H-pyrimidin-2-one
CID 167367184
2-[2-[2-fluoro-5-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenyl]pyrimidin-5-yl]propan-2-ol
CID 69350240
N-methyl-2-[2-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanamine
CID 167366629
2-[4-[4-fluoro-3-(4-methylsulfonylphenyl)phenyl]-1H-pyrazol-5-yl]-6-methylpyridine
CID 11553254

Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid (CID 138539576) is (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid is Cc1cccc(-c2[nH]ncc2-c2ccc3ncnn3c2/C=C/C(=O)O)n1.
What is the InChIKey of (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid?
The InChIKey is DDNAVOIEBYHVRE-SOFGYWHQSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-11-3-2-4-14(22-11)18-13(9-20-23-18)12-5-7-16-19-10-21-24(16)15(12)6-8-17(25)26/h2-10H,1H3,(H,20,23)(H,25,26)/b8-6+.
What are the key properties of (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid?
(E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid has a molecular weight of 346.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enoic acid is sourced from PubChem (CID 138539576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).