[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone

C18H21N7O — CID 70779716

IUPAC[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(-n2cnnc2)nc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C18H21N7O/c26-18(16-2-3-17(19-12-16)24-13-20-21-14-24)23-9-4-15(5-10-23)6-11-25-8-1-7-22-25/h1-3,7-8,12-15H,4-6,9-11H2
InChIKeyDSCCTBKLIQCRNA-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.80
Rot. Bonds5

About [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone

[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone (PubChem CID 70779716) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
PubChem CID70779716
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(-n2cnnc2)nc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C18H21N7O/c26-18(16-2-3-17(19-12-16)24-13-20-21-14-24)23-9-4-15(5-10-23)6-11-25-8-1-7-22-25/h1-3,7-8,12-15H,4-6,9-11H2
InChIKeyDSCCTBKLIQCRNA-UHFFFAOYSA-N
XLogP1.80
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 45216463
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72872499
(4-hydroxy-3-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 56721440
[6-[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95193057
[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 25368785
(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70758865
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70788820
[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 56750257
(4-phenylpiperazin-1-yl)-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 91952840
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70755983
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone?
The IUPAC name of [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone (CID 70779716) is [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone?
The canonical SMILES for [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone is O=C(c1ccc(-n2cnnc2)nc1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone?
The InChIKey is DSCCTBKLIQCRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c26-18(16-2-3-17(19-12-16)24-13-20-21-14-24)23-9-4-15(5-10-23)6-11-25-8-1-7-22-25/h1-3,7-8,12-15H,4-6,9-11H2.
What are the key properties of [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone?
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone has a molecular weight of 351.41 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone is sourced from PubChem (CID 70779716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).