[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

C21H26N6O — CID 72842076

IUPAC[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1
InChIInChI=1S/C21H26N6O/c1-15-19(16(2)25(3)24-15)21(28)26-11-6-18(7-12-26)20-23-10-13-27(20)14-17-4-8-22-9-5-17/h4-5,8-10,13,18H,6-7,11-12,14H2,1-3H3
InChIKeySZKFJOLMCDTXFO-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.70
Rot. Bonds4

About [4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone

[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (PubChem CID 72842076) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is [4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
PubChem CID72842076
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
SMILESCc1nn(C)c(C)c1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1
InChIInChI=1S/C21H26N6O/c1-15-19(16(2)25(3)24-15)21(28)26-11-6-18(7-12-26)20-23-10-13-27(20)14-17-4-8-22-9-5-17/h4-5,8-10,13,18H,6-7,11-12,14H2,1-3H3
InChIKeySZKFJOLMCDTXFO-UHFFFAOYSA-N
XLogP2.70
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-dimethylphenyl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72892381
2-cyclopentyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 72915173
N-cyclohexyl-4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidine-1-carboxamide
CID 72900440
[5-(methoxymethyl)furan-2-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72841956
3-(4-hydroxyphenyl)-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]propan-1-one
CID 72867933
[(1S,3R)-3-aminocyclopentyl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72876467
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone;dihydrochloride
CID 154899926
N-[(2R)-3-methyl-1-oxo-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butan-2-yl]acetamide
CID 97281199
(2-methyloxolan-2-yl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72855788
(2R)-2-(methylamino)-2-phenyl-1-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]ethanone
CID 97276167
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
(5-methyl-1H-imidazol-2-yl)-[4-[1-(pyridin-3-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72870005

Frequently Asked Questions

What is the IUPAC name of [4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The IUPAC name of [4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone (CID 72842076) is [4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is Cc1nn(C)c(C)c1C(=O)N1CCC(c2nccn2Cc2ccncc2)CC1.
What is the InChIKey of [4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
The InChIKey is SZKFJOLMCDTXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-15-19(16(2)25(3)24-15)21(28)26-11-6-18(7-12-26)20-23-10-13-27(20)14-17-4-8-22-9-5-17/h4-5,8-10,13,18H,6-7,11-12,14H2,1-3H3.
What are the key properties of [4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone?
[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone has a molecular weight of 378.48 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone is sourced from PubChem (CID 72842076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).