4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid

C19H19N3O3 — CID 42633200

IUPAC4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid
SMILESCC(C)(O)c1cccn2c(C3(c4ccc(C(=O)O)cc4)CC3)nnc12
InChIInChI=1S/C19H19N3O3/c1-18(2,25)14-4-3-11-22-15(14)20-21-17(22)19(9-10-19)13-7-5-12(6-8-13)16(23)24/h3-8,11,25H,9-10H2,1-2H3,(H,23,24)
InChIKeyKCQCQYJQLLJVCN-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.73
Rot. Bonds4

About 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid

4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid (PubChem CID 42633200) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid.

Molecular Properties

Compound Name4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid
PubChem CID42633200
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid
SMILESCC(C)(O)c1cccn2c(C3(c4ccc(C(=O)O)cc4)CC3)nnc12
InChIInChI=1S/C19H19N3O3/c1-18(2,25)14-4-3-11-22-15(14)20-21-17(22)19(9-10-19)13-7-5-12(6-8-13)16(23)24/h3-8,11,25H,9-10H2,1-2H3,(H,23,24)
InChIKeyKCQCQYJQLLJVCN-UHFFFAOYSA-N
XLogP2.73
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid with MolForge

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Related Compounds

AP-24600
CID 58945624
4-[6-(Cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 44573514
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 2535053
6-(4-Acetylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71600676
6-(4-Methylphenyl)-1-(pyridin-4-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 71602216
4-[5-(Pyridin-4-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzoic acid
CID 155569572
2-Cyclopentyl-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)benzoic acid
CID 164622497
2-Cyclopentyl-4-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)benzoic acid
CID 164628935
3-[6-(2,4-Difluorophenyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-4-methylbenzoic acid;hydrochloride
CID 46226970
US10800776, Example 21
CID 132159527
US10800776, Example D45
CID 132159528
US10800776, Example 29
CID 132159550

Frequently Asked Questions

What is the IUPAC name of 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid?
The IUPAC name of 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid (CID 42633200) is 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid.
What is the SMILES notation for 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid?
The canonical SMILES for 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid is CC(C)(O)c1cccn2c(C3(c4ccc(C(=O)O)cc4)CC3)nnc12.
What is the InChIKey of 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid?
The InChIKey is KCQCQYJQLLJVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-18(2,25)14-4-3-11-22-15(14)20-21-17(22)19(9-10-19)13-7-5-12(6-8-13)16(23)24/h3-8,11,25H,9-10H2,1-2H3,(H,23,24).
What are the key properties of 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid?
4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid has a molecular weight of 337.38 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[8-(2-hydroxypropan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclopropyl]benzoic acid is sourced from PubChem (CID 42633200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).