4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide

C20H18ClFN4O2 — CID 156811062

IUPAC4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1
InChIInChI=1S/C20H18ClFN4O2/c21-17-11-26(15-3-1-12(2-4-15)18(23)27)19-16(17)9-13(10-24-19)20(28)25-7-5-14(22)6-8-25/h1-4,9-11,14H,5-8H2,(H2,23,27)
InChIKeyDELRVCYTECLQNN-UHFFFAOYSA-N
MW400.84 g/mol
LogP3.35
Rot. Bonds3

About 4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide

4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide (PubChem CID 156811062) has the molecular formula C20H18ClFN4O2 and a molecular weight of 400.84 g/mol. Its IUPAC name is 4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide.

Molecular Properties

Compound Name4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
PubChem CID156811062
Molecular FormulaC20H18ClFN4O2
Molecular Weight400.84 g/mol
Exact Mass400.11
IUPAC Name4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide
SMILESNC(=O)c1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1
InChIInChI=1S/C20H18ClFN4O2/c21-17-11-26(15-3-1-12(2-4-15)18(23)27)19-16(17)9-13(10-24-19)20(28)25-7-5-14(22)6-8-25/h1-4,9-11,14H,5-8H2,(H2,23,27)
InChIKeyDELRVCYTECLQNN-UHFFFAOYSA-N
XLogP3.35
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?
The IUPAC name of 4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide (CID 156811062) is 4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide.
What is the SMILES notation for 4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?
The canonical SMILES for 4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide is NC(=O)c1ccc(-n2cc(Cl)c3cc(C(=O)N4CCC(F)CC4)cnc32)cc1.
What is the InChIKey of 4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?
The InChIKey is DELRVCYTECLQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O2/c21-17-11-26(15-3-1-12(2-4-15)18(23)27)19-16(17)9-13(10-24-19)20(28)25-7-5-14(22)6-8-25/h1-4,9-11,14H,5-8H2,(H2,23,27).
What are the key properties of 4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide?
4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide has a molecular weight of 400.84 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-(4-fluoropiperidine-1-carbonyl)pyrrolo[2,3-b]pyridin-1-yl]benzamide is sourced from PubChem (CID 156811062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).