4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

C19H18BrClN4O — CID 90421918

IUPAC4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(Br)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C19H18BrClN4O/c20-18-17(12-6-9-24(10-7-12)19(22)26)15-5-8-23-11-16(15)25(18)14-3-1-13(21)2-4-14/h1-5,8,11-12H,6-7,9-10H2,(H2,22,26)
InChIKeyKPNFTWKBXFMWBD-UHFFFAOYSA-N
MW433.74 g/mol
LogP4.70
Rot. Bonds2

About 4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide

4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (PubChem CID 90421918) has the molecular formula C19H18BrClN4O and a molecular weight of 433.74 g/mol. Its IUPAC name is 4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
PubChem CID90421918
Molecular FormulaC19H18BrClN4O
Molecular Weight433.74 g/mol
Exact Mass432.04
IUPAC Name4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(c2c(Br)n(-c3ccc(Cl)cc3)c3cnccc23)CC1
InChIInChI=1S/C19H18BrClN4O/c20-18-17(12-6-9-24(10-7-12)19(22)26)15-5-8-23-11-16(15)25(18)14-3-1-13(21)2-4-14/h1-5,8,11-12H,6-7,9-10H2,(H2,22,26)
InChIKeyKPNFTWKBXFMWBD-UHFFFAOYSA-N
XLogP4.70
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.74
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The IUPAC name of 4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide (CID 90421918) is 4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The canonical SMILES for 4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is NC(=O)N1CCC(c2c(Br)n(-c3ccc(Cl)cc3)c3cnccc23)CC1.
What is the InChIKey of 4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
The InChIKey is KPNFTWKBXFMWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN4O/c20-18-17(12-6-9-24(10-7-12)19(22)26)15-5-8-23-11-16(15)25(18)14-3-1-13(21)2-4-14/h1-5,8,11-12H,6-7,9-10H2,(H2,22,26).
What are the key properties of 4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide?
4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide has a molecular weight of 433.74 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-1-(4-chlorophenyl)pyrrolo[2,3-c]pyridin-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 90421918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).