methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate

C17H14N6O2 — CID 59199019

IUPACmethyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc3c(-c4cn[nH]c4)cccn3n2)cc1
InChIInChI=1S/C17H14N6O2/c1-25-16(24)11-4-6-13(7-5-11)20-17-21-15-14(12-9-18-19-10-12)3-2-8-23(15)22-17/h2-10H,1H3,(H,18,19)(H,20,22)
InChIKeyFLKNBQRBDHPHHB-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.65
Rot. Bonds4

About methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate

methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate (PubChem CID 59199019) has the molecular formula C17H14N6O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
PubChem CID59199019
Molecular FormulaC17H14N6O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Namemethyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2nc3c(-c4cn[nH]c4)cccn3n2)cc1
InChIInChI=1S/C17H14N6O2/c1-25-16(24)11-4-6-13(7-5-11)20-17-21-15-14(12-9-18-19-10-12)3-2-8-23(15)22-17/h2-10H,1H3,(H,18,19)(H,20,22)
InChIKeyFLKNBQRBDHPHHB-UHFFFAOYSA-N
XLogP2.65
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate (CID 59199019) is methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate is COC(=O)c1ccc(Nc2nc3c(-c4cn[nH]c4)cccn3n2)cc1.
What is the InChIKey of methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate?
The InChIKey is FLKNBQRBDHPHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O2/c1-25-16(24)11-4-6-13(7-5-11)20-17-21-15-14(12-9-18-19-10-12)3-2-8-23(15)22-17/h2-10H,1H3,(H,18,19)(H,20,22).
What are the key properties of methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate?
methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate has a molecular weight of 334.34 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate is sourced from PubChem (CID 59199019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).