4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one

C28H30F3N5O3 — CID 25153309

IUPAC4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one
SMILESO=C(c1c(-c2cc[nH]c(=O)c2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C28H30F3N5O3/c29-28(30,31)39-22-7-3-18(4-8-22)26-33-24(19-9-12-32-23(37)17-19)25(36(26)21-5-6-21)27(38)35-15-10-20(11-16-35)34-13-1-2-14-34/h3-4,7-9,12,17,20-21H,1-2,5-6,10-11,13-16H2,(H,32,37)
InChIKeyBSVDOGYEDUDJEC-UHFFFAOYSA-N
MW541.57 g/mol
LogP4.84
Rot. Bonds6

About 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one

4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one (PubChem CID 25153309) has the molecular formula C28H30F3N5O3 and a molecular weight of 541.57 g/mol. Its IUPAC name is 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one
PubChem CID25153309
Molecular FormulaC28H30F3N5O3
Molecular Weight541.57 g/mol
Exact Mass541.23
IUPAC Name4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one
SMILESO=C(c1c(-c2cc[nH]c(=O)c2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C28H30F3N5O3/c29-28(30,31)39-22-7-3-18(4-8-22)26-33-24(19-9-12-32-23(37)17-19)25(36(26)21-5-6-21)27(38)35-15-10-20(11-16-35)34-13-1-2-14-34/h3-4,7-9,12,17,20-21H,1-2,5-6,10-11,13-16H2,(H,32,37)
InChIKeyBSVDOGYEDUDJEC-UHFFFAOYSA-N
XLogP4.84
TPSA83.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500541.57
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one (CID 25153309) is 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one is O=C(c1c(-c2cc[nH]c(=O)c2)nc(-c2ccc(OC(F)(F)F)cc2)n1C1CC1)N1CCC(N2CCCC2)CC1.
What is the InChIKey of 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one?
The InChIKey is BSVDOGYEDUDJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F3N5O3/c29-28(30,31)39-22-7-3-18(4-8-22)26-33-24(19-9-12-32-23(37)17-19)25(36(26)21-5-6-21)27(38)35-15-10-20(11-16-35)34-13-1-2-14-34/h3-4,7-9,12,17,20-21H,1-2,5-6,10-11,13-16H2,(H,32,37).
What are the key properties of 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one?
4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one has a molecular weight of 541.57 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-cyclopropyl-5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2-[4-(trifluoromethoxy)phenyl]imidazol-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 25153309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).