4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine

C24H24ClFN4 — CID 157083170

IUPAC4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine
SMILESCN1CCC(Cn2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1
InChIInChI=1S/C24H24ClFN4/c1-29-11-8-16(9-12-29)14-30-15-28-23(17-5-6-21(26)20(25)13-17)24(30)19-7-10-27-22-4-2-3-18(19)22/h2-3,5-7,10,13,15-16H,4,8-9,11-12,14H2,1H3
InChIKeyNWZBDDUSPHLWLO-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.32
Rot. Bonds4

About 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine

4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine (PubChem CID 157083170) has the molecular formula C24H24ClFN4 and a molecular weight of 422.94 g/mol. Its IUPAC name is 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Name4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine
PubChem CID157083170
Molecular FormulaC24H24ClFN4
Molecular Weight422.94 g/mol
Exact Mass422.17
IUPAC Name4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine
SMILESCN1CCC(Cn2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1
InChIInChI=1S/C24H24ClFN4/c1-29-11-8-16(9-12-29)14-30-15-28-23(17-5-6-21(26)20(25)13-17)24(30)19-7-10-27-22-4-2-3-18(19)22/h2-3,5-7,10,13,15-16H,4,8-9,11-12,14H2,1H3
InChIKeyNWZBDDUSPHLWLO-UHFFFAOYSA-N
XLogP5.32
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine with MolForge

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Related Compounds

Midazolam
CID 4192
Midazolam Hydrochloride
CID 43032
SB-220025
CID 5164
Basimglurant
CID 11438771
2-(4-Chlorophenyl)imidazo(1,2-a)pyridine
CID 745769
Htl14242
CID 86763358
Cyclopropyl-(4-(5-(3,4-Dichlorophenyl)-2-((1-Methyl)-Piperidin)-4-Yl-3-Propyl-3h-Imidazol-4-Yl)-Pyrimidin-2-Yl)Amine
CID 447872
VK-19911
CID 9797240
SB-216995
CID 5171
4-[5-(4-Fluoro-phenyl)-3-(2,2,6,6-tetramethyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 10475737
BU-E 47
CID 14660352
4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 22464113

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine?
The IUPAC name of 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine (CID 157083170) is 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine?
The canonical SMILES for 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine is CN1CCC(Cn2cnc(-c3ccc(F)c(Cl)c3)c2-c2ccnc3c2C=CC3)CC1.
What is the InChIKey of 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine?
The InChIKey is NWZBDDUSPHLWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4/c1-29-11-8-16(9-12-29)14-30-15-28-23(17-5-6-21(26)20(25)13-17)24(30)19-7-10-27-22-4-2-3-18(19)22/h2-3,5-7,10,13,15-16H,4,8-9,11-12,14H2,1H3.
What are the key properties of 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine?
4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine has a molecular weight of 422.94 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chloro-4-fluorophenyl)-3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 157083170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).