4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide

C28H24ClFN4O3 — CID 158183032

IUPAC4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1=Cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCNCC3)C4)ccnc2C1
InChIInChI=1S/C28H24ClFN4O3/c29-18-11-16-14-25(28(36)34-9-7-31-8-10-34)37-26(16)23(15-18)21-5-6-32-24-13-17(12-22(21)24)27(35)33-20-3-1-19(30)2-4-20/h1-6,11-12,15,25,31H,7-10,13-14H2,(H,33,35)
InChIKeyFYVCJPRVDXVTSW-UHFFFAOYSA-N
MW518.98 g/mol
LogP3.85
Rot. Bonds4

About 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide

4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide (PubChem CID 158183032) has the molecular formula C28H24ClFN4O3 and a molecular weight of 518.98 g/mol. Its IUPAC name is 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide.

Molecular Properties

Compound Name4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide
PubChem CID158183032
Molecular FormulaC28H24ClFN4O3
Molecular Weight518.98 g/mol
Exact Mass518.15
IUPAC Name4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1=Cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCNCC3)C4)ccnc2C1
InChIInChI=1S/C28H24ClFN4O3/c29-18-11-16-14-25(28(36)34-9-7-31-8-10-34)37-26(16)23(15-18)21-5-6-32-24-13-17(12-22(21)24)27(35)33-20-3-1-19(30)2-4-20/h1-6,11-12,15,25,31H,7-10,13-14H2,(H,33,35)
InChIKeyFYVCJPRVDXVTSW-UHFFFAOYSA-N
XLogP3.85
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.98
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide 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

3-[[7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrimidin-4-one
CID 156009874
1-[[7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidin-2-one
CID 156017229
N-[[7-[(2R)-5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]acetamide
CID 156017346
4-(4-acetamidophenyl)-N-[(3-chlorophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49789182
[(2R)-5-chloro-7-(2-methylthieno[3,2-b]pyridin-7-yl)-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 156018892
[7-(2-Amino-4-pyridinyl)-5-chloro-2,3-dihydro-1-benzofuran-2-yl]-piperazin-1-ylmethanone
CID 156016407
5-chloro-2-fluoro-N-[(5-methyl-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45165502
3-chloro-4-fluoro-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45165574
3-chloro-N-[(5-fluoro-7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]benzamide
CID 45165919
4-(4-chlorophenyl)-N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46942952
N-[(3-chlorophenyl)methyl]-4-phenyl-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 46944217
4-(3-carbamoylphenyl)-N-[(3-chlorophenyl)methyl]-2,3-dihydrofuro[2,3-b]pyridine-2-carboxamide
CID 49778631

Frequently Asked Questions

What is the IUPAC name of 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide?
The IUPAC name of 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide (CID 158183032) is 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide.
What is the SMILES notation for 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide?
The canonical SMILES for 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide is O=C(Nc1ccc(F)cc1)C1=Cc2c(-c3cc(Cl)cc4c3OC(C(=O)N3CCNCC3)C4)ccnc2C1.
What is the InChIKey of 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide?
The InChIKey is FYVCJPRVDXVTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN4O3/c29-18-11-16-14-25(28(36)34-9-7-31-8-10-34)37-26(16)23(15-18)21-5-6-32-24-13-17(12-22(21)24)27(35)33-20-3-1-19(30)2-4-20/h1-6,11-12,15,25,31H,7-10,13-14H2,(H,33,35).
What are the key properties of 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide?
4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide has a molecular weight of 518.98 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-chloro-2-(piperazine-1-carbonyl)-2,3-dihydro-1-benzofuran-7-yl]-N-(4-fluorophenyl)-7H-cyclopenta[b]pyridine-6-carboxamide is sourced from PubChem (CID 158183032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).