5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide

C22H17ClF2N4O2 — CID 59490918

IUPAC5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)cnc2n1Cc1ccc(F)cc1F
InChIInChI=1S/C22H17ClF2N4O2/c1-2-26-22(31)19-18(15-4-3-7-27-21(15)30)16-8-13(23)10-28-20(16)29(19)11-12-5-6-14(24)9-17(12)25/h3-10H,2,11H2,1H3,(H,26,31)(H,27,30)
InChIKeySAGWPVGZJAULMD-UHFFFAOYSA-N
MW442.85 g/mol
LogP4.12
Rot. Bonds5

About 5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide

5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 59490918) has the molecular formula C22H17ClF2N4O2 and a molecular weight of 442.85 g/mol. Its IUPAC name is 5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID59490918
Molecular FormulaC22H17ClF2N4O2
Molecular Weight442.85 g/mol
Exact Mass442.10
IUPAC Name5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCCNC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)cnc2n1Cc1ccc(F)cc1F
InChIInChI=1S/C22H17ClF2N4O2/c1-2-26-22(31)19-18(15-4-3-7-27-21(15)30)16-8-13(23)10-28-20(16)29(19)11-12-5-6-14(24)9-17(12)25/h3-10H,2,11H2,1H3,(H,26,31)(H,27,30)
InChIKeySAGWPVGZJAULMD-UHFFFAOYSA-N
XLogP4.12
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.85
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloroquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
CID 59490930
3-[2-acetyl-1-[(2,5-difluorophenyl)methyl]indol-3-yl]-1H-pyridin-2-one
CID 143773929
1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide
CID 59490936
1-[(2,4-difluorophenyl)methyl]-5-ethyl-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225634
N-(4,5-dichlorothiophen-2-yl)sulfonyl-1-[(2,4-difluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 58132414
5-ethyl-6-fluoro-1-[(2-fluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25225825
5-chloro-1-[(2,5-difluorophenyl)methyl]-3-(2-oxo-1H-pyridin-3-yl)-N-[4-(trifluoromethoxy)phenyl]sulfonylindole-2-carboxamide
CID 87168097
1-[(2,5-difluorophenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)-6,7-dihydro-5H-cyclopenta[f]indole-2-carboxamide
CID 25167972
5-chloro-1-[(2-fluorophenyl)methyl]-N-[3-(methanesulfonamido)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 25224866
5-chloro-1-[(2-fluoro-5-methylsulfinylphenyl)methyl]-N-methylsulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 66821730
1-[(2-amino-4-pyridinyl)methyl]-5-chloro-N-(4-fluoro-2-methylphenyl)sulfonyl-3-(2-oxo-1H-pyridin-3-yl)indole-2-carboxamide
CID 57401092
1-[(2,4-difluorophenyl)methyl]-N-[3-(methylsulfonylmethyl)phenyl]sulfonyl-3-(2-oxo-1H-pyridin-3-yl)-5-(trifluoromethyl)indole-2-carboxamide
CID 58132881

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 59490918) is 5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide is CCNC(=O)c1c(-c2ccc[nH]c2=O)c2cc(Cl)cnc2n1Cc1ccc(F)cc1F.
What is the InChIKey of 5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is SAGWPVGZJAULMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF2N4O2/c1-2-26-22(31)19-18(15-4-3-7-27-21(15)30)16-8-13(23)10-28-20(16)29(19)11-12-5-6-14(24)9-17(12)25/h3-10H,2,11H2,1H3,(H,26,31)(H,27,30).
What are the key properties of 5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide?
5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 442.85 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(2,4-difluorophenyl)methyl]-N-ethyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 59490918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).