[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone

C20H22N6O — CID 72872499

IUPAC[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)nc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C20H22N6O/c27-20(18-14-22-19(23-15-18)17-2-8-21-9-3-17)25-11-4-16(5-12-25)6-13-26-10-1-7-24-26/h1-3,7-10,14-16H,4-6,11-13H2
InChIKeyZDOBCLSOXYKPDF-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.68
Rot. Bonds5

About [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone

[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone (PubChem CID 72872499) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
PubChem CID72872499
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
SMILESO=C(c1cnc(-c2ccncc2)nc1)N1CCC(CCn2cccn2)CC1
InChIInChI=1S/C20H22N6O/c27-20(18-14-22-19(23-15-18)17-2-8-21-9-3-17)25-11-4-16(5-12-25)6-13-26-10-1-7-24-26/h1-3,7-10,14-16H,4-6,11-13H2
InChIKeyZDOBCLSOXYKPDF-UHFFFAOYSA-N
XLogP2.68
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-[6-(1,2,4-triazol-4-yl)-3-pyridinyl]methanone
CID 70779716
[6-(3-hydroxypiperidin-1-yl)-3-pyridinyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 45216463
(4-hydroxy-3-methoxyphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 56721440
(2-phenylphenyl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70788820
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70755983
[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97187193
[4-(pyrazol-1-ylmethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 90495097
[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone
CID 72858587
(4-methylthiadiazol-5-yl)-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70758865
[5-(3-fluorophenyl)-1H-pyrazol-4-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70780162
[(2S)-2,3-dihydro-1-benzothiophen-2-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97193044
(4-methylphenyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 90494869

Frequently Asked Questions

What is the IUPAC name of [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The IUPAC name of [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone (CID 72872499) is [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone.
What is the SMILES notation for [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The canonical SMILES for [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone is O=C(c1cnc(-c2ccncc2)nc1)N1CCC(CCn2cccn2)CC1.
What is the InChIKey of [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
The InChIKey is ZDOBCLSOXYKPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c27-20(18-14-22-19(23-15-18)17-2-8-21-9-3-17)25-11-4-16(5-12-25)6-13-26-10-1-7-24-26/h1-3,7-10,14-16H,4-6,11-13H2.
What are the key properties of [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone?
[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone has a molecular weight of 362.44 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-4-ylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72872499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).