2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine

C20H27N7 — CID 131669042

IUPAC2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(CN2CCCC(c3nc4ccc(N5CCCC5)cn4n3)C2)cn1
InChIInChI=1S/C20H27N7/c1-24-12-16(11-21-24)13-25-8-4-5-17(14-25)20-22-19-7-6-18(15-27(19)23-20)26-9-2-3-10-26/h6-7,11-12,15,17H,2-5,8-10,13-14H2,1H3
InChIKeyATHBYGPGNSNRLD-UHFFFAOYSA-N
MW365.49 g/mol
LogP2.44
Rot. Bonds4

About 2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine

2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 131669042) has the molecular formula C20H27N7 and a molecular weight of 365.49 g/mol. Its IUPAC name is 2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID131669042
Molecular FormulaC20H27N7
Molecular Weight365.49 g/mol
Exact Mass365.23
IUPAC Name2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCn1cc(CN2CCCC(c3nc4ccc(N5CCCC5)cn4n3)C2)cn1
InChIInChI=1S/C20H27N7/c1-24-12-16(11-21-24)13-25-8-4-5-17(14-25)20-22-19-7-6-18(15-27(19)23-20)26-9-2-3-10-26/h6-7,11-12,15,17H,2-5,8-10,13-14H2,1H3
InChIKeyATHBYGPGNSNRLD-UHFFFAOYSA-N
XLogP2.44
TPSA54.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.49
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[1-[(5-methylthiophen-2-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155839671
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
4-[2-[1-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine
CID 131669080
2-[1-[(1-ethylpyrazol-4-yl)methyl]piperidin-3-yl]-6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 131668931
4-[2-[1-[(3-methylphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;2,2,2-trifluoroacetic acid
CID 171695279
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
(3S)-3-(2-methylphenyl)-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 95872001
(2-methylphenyl)-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]methanone
CID 131671563
4-[2-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826344
1-[3-(6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 131671565
2-(1-cyclobutylpiperidin-3-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155827756
4-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]pyrimidin-2-amine
CID 110271006

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 131669042) is 2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine is Cn1cc(CN2CCCC(c3nc4ccc(N5CCCC5)cn4n3)C2)cn1.
What is the InChIKey of 2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ATHBYGPGNSNRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7/c1-24-12-16(11-21-24)13-25-8-4-5-17(14-25)20-22-19-7-6-18(15-27(19)23-20)26-9-2-3-10-26/h6-7,11-12,15,17H,2-5,8-10,13-14H2,1H3.
What are the key properties of 2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 365.49 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-3-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 131669042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).