[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone

C23H27N5O — CID 97282581

IUPAC[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H](c2nccn2CC2CC2)C1
InChIInChI=1S/C23H27N5O/c29-23(20-5-1-4-19(14-20)16-28-12-3-9-25-28)27-11-2-6-21(17-27)22-24-10-13-26(22)15-18-7-8-18/h1,3-5,9-10,12-14,18,21H,2,6-8,11,15-17H2/t21-/m1/s1
InChIKeyMBMGFFIPULEMHV-OAQYLSRUSA-N
MW389.50 g/mol
LogP3.56
Rot. Bonds6

About [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone

[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone (PubChem CID 97282581) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
PubChem CID97282581
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H](c2nccn2CC2CC2)C1
InChIInChI=1S/C23H27N5O/c29-23(20-5-1-4-19(14-20)16-28-12-3-9-25-28)27-11-2-6-21(17-27)22-24-10-13-26(22)15-18-7-8-18/h1,3-5,9-10,12-14,18,21H,2,6-8,11,15-17H2/t21-/m1/s1
InChIKeyMBMGFFIPULEMHV-OAQYLSRUSA-N
XLogP3.56
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 70781771
(3-chloro-4-methylphenyl)-[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 96577665
1-[(3-chlorophenyl)methyl]-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidine
CID 70716309
1,3-benzothiazol-6-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72847990
(3-fluorophenyl)-[(3R)-3-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97139604
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-(4-fluoro-3-methylphenyl)methanone
CID 72881956
1,3-benzodioxol-5-yl-[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72882569
2-[(3S)-1-[3-(pyrazol-1-ylmethyl)benzoyl]pyrrolidin-3-yl]benzoic acid
CID 95724669
[3-(5-benzyl-2-methylpyrimidin-4-yl)piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 45193214
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 96577048
[(3S,5S)-3,5-dimethylpiperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone
CID 35762825
[(3R)-3-(1-benzylimidazol-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 96578140

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone (CID 97282581) is [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone is O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H](c2nccn2CC2CC2)C1.
What is the InChIKey of [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is MBMGFFIPULEMHV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(20-5-1-4-19(14-20)16-28-12-3-9-25-28)27-11-2-6-21(17-27)22-24-10-13-26(22)15-18-7-8-18/h1,3-5,9-10,12-14,18,21H,2,6-8,11,15-17H2/t21-/m1/s1.
What are the key properties of [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone?
[(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 389.50 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[3-(pyrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 97282581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).