2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone

C21H19ClFN3O2 — CID 92569799

IUPAC2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(c1ccc(F)cc1)c1cn(CC(=O)N2CCCCC2)c2c(Cl)nccc12
InChIInChI=1S/C21H19ClFN3O2/c22-21-19-16(8-9-24-21)17(20(28)14-4-6-15(23)7-5-14)12-26(19)13-18(27)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2
InChIKeyNBFGGZLARCWPBH-UHFFFAOYSA-N
MW399.85 g/mol
LogP4.07
Rot. Bonds4

About 2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone

2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone (PubChem CID 92569799) has the molecular formula C21H19ClFN3O2 and a molecular weight of 399.85 g/mol. Its IUPAC name is 2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone
PubChem CID92569799
Molecular FormulaC21H19ClFN3O2
Molecular Weight399.85 g/mol
Exact Mass399.11
IUPAC Name2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone
SMILESO=C(c1ccc(F)cc1)c1cn(CC(=O)N2CCCCC2)c2c(Cl)nccc12
InChIInChI=1S/C21H19ClFN3O2/c22-21-19-16(8-9-24-21)17(20(28)14-4-6-15(23)7-5-14)12-26(19)13-18(27)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2
InChIKeyNBFGGZLARCWPBH-UHFFFAOYSA-N
XLogP4.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.85
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]acetyl]piperidine-3-carboxamide
CID 92569797
1-[2-(azepan-1-yl)-2-oxoethyl]-3-chloropyrazin-2-one
CID 114561652
2-(3-acetyl-7-fluoroindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 117098748
1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
1-(4-fluorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1088450
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(4-fluorophenyl)-2-oxoacetamide
CID 40506681
1-[2-(azepan-1-yl)-2-oxoethyl]-6-fluoroquinolin-4-one
CID 100743617
4-fluoro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543562
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 861157
2-(5-chloropyrrolo[2,3-b]pyridin-1-yl)-1-piperidin-1-ylethanone
CID 141178949

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone (CID 92569799) is 2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone is O=C(c1ccc(F)cc1)c1cn(CC(=O)N2CCCCC2)c2c(Cl)nccc12.
What is the InChIKey of 2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is NBFGGZLARCWPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O2/c22-21-19-16(8-9-24-21)17(20(28)14-4-6-15(23)7-5-14)12-26(19)13-18(27)25-10-2-1-3-11-25/h4-9,12H,1-3,10-11,13H2.
What are the key properties of 2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone?
2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone has a molecular weight of 399.85 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(4-fluorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 92569799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).