2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

C24H27FN6O — CID 131671470

IUPAC2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCn1cc(CN2CCCC(c3nc4ccc(-c5cc(F)ccc5OC)cn4n3)C2)cn1
InChIInChI=1S/C24H27FN6O/c1-3-30-14-17(12-26-30)13-29-10-4-5-19(15-29)24-27-23-9-6-18(16-31(23)28-24)21-11-20(25)7-8-22(21)32-2/h6-9,11-12,14,16,19H,3-5,10,13,15H2,1-2H3
InChIKeyNUWNNXLQIMMGBH-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.14
Rot. Bonds6

About 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine

2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 131671470) has the molecular formula C24H27FN6O and a molecular weight of 434.52 g/mol. Its IUPAC name is 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID131671470
Molecular FormulaC24H27FN6O
Molecular Weight434.52 g/mol
Exact Mass434.22
IUPAC Name2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCn1cc(CN2CCCC(c3nc4ccc(-c5cc(F)ccc5OC)cn4n3)C2)cn1
InChIInChI=1S/C24H27FN6O/c1-3-30-14-17(12-26-30)13-29-10-4-5-19(15-29)24-27-23-9-6-18(16-31(23)28-24)21-11-20(25)7-8-22(21)32-2/h6-9,11-12,14,16,19H,3-5,10,13,15H2,1-2H3
InChIKeyNUWNNXLQIMMGBH-UHFFFAOYSA-N
XLogP4.14
TPSA60.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 131668931
2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 131669042
2-(1-ethylpiperidin-3-yl)-6-methoxy-[1,2,4]triazolo[1,5-a]pyridine
CID 117129320
[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 45169937
4-[2-[1-[(3-fluorophenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 131669076
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155851279
6-(3-fluorophenyl)-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155826048
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891510
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891509
2-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117129445
5-(4-chlorophenyl)-4-[(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-N,N-dimethylpyrimidin-2-amine
CID 92617678
4-[2-[1-[(4-ethylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695440

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 131671470) is 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is CCn1cc(CN2CCCC(c3nc4ccc(-c5cc(F)ccc5OC)cn4n3)C2)cn1.
What is the InChIKey of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is NUWNNXLQIMMGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O/c1-3-30-14-17(12-26-30)13-29-10-4-5-19(15-29)24-27-23-9-6-18(16-31(23)28-24)21-11-20(25)7-8-22(21)32-2/h6-9,11-12,14,16,19H,3-5,10,13,15H2,1-2H3.
What are the key properties of 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine?
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 434.52 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(5-fluoro-2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 131671470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).