4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

C23H18ClFN4 — CID 166991085

IUPAC4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2ncn(CC3=CCCC=C3)c2-c2ccnc3[nH]ccc23)cc1Cl
InChIInChI=1S/C23H18ClFN4/c24-19-12-16(6-7-20(19)25)21-22(17-8-10-26-23-18(17)9-11-27-23)29(14-28-21)13-15-4-2-1-3-5-15/h2,4-12,14H,1,3,13H2,(H,26,27)
InChIKeyFJQUCDSOXKSVHP-UHFFFAOYSA-N
MW404.88 g/mol
LogP6.16
Rot. Bonds4

About 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine

4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 166991085) has the molecular formula C23H18ClFN4 and a molecular weight of 404.88 g/mol. Its IUPAC name is 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID166991085
Molecular FormulaC23H18ClFN4
Molecular Weight404.88 g/mol
Exact Mass404.12
IUPAC Name4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
SMILESFc1ccc(-c2ncn(CC3=CCCC=C3)c2-c2ccnc3[nH]ccc23)cc1Cl
InChIInChI=1S/C23H18ClFN4/c24-19-12-16(6-7-20(19)25)21-22(17-8-10-26-23-18(17)9-11-27-23)29(14-28-21)13-15-4-2-1-3-5-15/h2,4-12,14H,1,3,13H2,(H,26,27)
InChIKeyFJQUCDSOXKSVHP-UHFFFAOYSA-N
XLogP6.16
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.88
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

4-[5-(4-fluorophenyl)-3-(pyridin-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552430
4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552353
4-[5-(4-fluorophenyl)-3-[(2-methyltriazol-4-yl)methyl]imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552543
4-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-thiazole
CID 139552395
5-[[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-2-methyl-1,3-thiazole
CID 139553745
4-[5-(4-fluorophenyl)-3-(3-methoxypropyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552481
4-[3-benzyl-5-(3-chloro-4-fluorophenyl)imidazol-4-yl]-7H-cyclopenta[b]pyridine;4-[5-(4-fluorophenyl)-3-(furan-2-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(1H-1,2,4-triazol-5-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;4-[5-(4-fluorophenyl)-3-(2H-triazol-4-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine;5-methyl-3-[[4-(4-methylphenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]methyl]-1,2-oxazole
CID 158274704
4-[3-benzyl-5-(5-fluoro-2-pyridinyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 139552918
4-(3-chloro-4-piperidin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 170449646
3-(dimethylamino)-1-[4-[4-(4-fluorophenyl)-5-(1H-pyrrolo[2,3-b]pyridin-4-yl)imidazol-1-yl]piperidin-1-yl]propan-1-one
CID 139552383
4-[1-(trifluoromethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine
CID 166375892
4-[4-(3-chloro-4-fluorophenyl)-5-(7H-cyclopenta[b]pyridin-4-yl)imidazol-1-yl]-N,N-dimethylcyclohexan-1-amine
CID 157083171

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine (CID 166991085) is 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is Fc1ccc(-c2ncn(CC3=CCCC=C3)c2-c2ccnc3[nH]ccc23)cc1Cl.
What is the InChIKey of 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FJQUCDSOXKSVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4/c24-19-12-16(6-7-20(19)25)21-22(17-8-10-26-23-18(17)9-11-27-23)29(14-28-21)13-15-4-2-1-3-5-15/h2,4-12,14H,1,3,13H2,(H,26,27).
What are the key properties of 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine?
4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 404.88 g/mol, XLogP of 6.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chloro-4-fluorophenyl)-3-(cyclohexa-1,5-dien-1-ylmethyl)imidazol-4-yl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 166991085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).