1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide

C16H13F2N3O2 — CID 10381105

IUPAC1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCONC(=O)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C16H13F2N3O2/c1-23-20-16(22)14-6-10-4-5-21(15(10)8-19-14)9-11-2-3-12(17)7-13(11)18/h2-8H,9H2,1H3,(H,20,22)
InChIKeyIMSFAUQJHWMGHJ-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.65
Rot. Bonds4

About 1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide

1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide (PubChem CID 10381105) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide
PubChem CID10381105
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide
SMILESCONC(=O)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1
InChIInChI=1S/C16H13F2N3O2/c1-23-20-16(22)14-6-10-4-5-21(15(10)8-19-14)9-11-2-3-12(17)7-13(11)18/h2-8H,9H2,1H3,(H,20,22)
InChIKeyIMSFAUQJHWMGHJ-UHFFFAOYSA-N
XLogP2.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

FG-7142
CID 4375
2-Amino-3-(4-fluorobenzoyl)indolizine-1-carboxamide
CID 5306648
3-[(4-Fluorophenyl)methyl]-7-hydroxy-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 11716564
1-[(2,4-Difluorophenyl)methyl]pyrrolo[2,3-c]pyridine-5-carbohydroxamic acid
CID 9948363
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-propyl-pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11558926
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-n-methyl-3-[(3-oxo-1-piperazinyl)methyl]-
CID 11683012
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-(3-hydroxypropyl)pyrrolo[2,3-c]pyridine-5-carboxamide
CID 11717135
1-[(4-fluorophenyl)methyl]-N-hydroxy-N-methyl-3-[(4-methylpiperazin-1-yl)methyl]pyrrolo[2,3-c]pyridine-5-carboxamide
CID 15957047
1h-Pyrrolo[2,3-c]pyridine-5-carboxamide,1-[(4-fluorophenyl)methyl]-n-hydroxy-3-(methoxymethyl)-n-methyl-
CID 15957087
9-(4-Fluorobenzyl)-N-Hydroxy-9h-Beta-Carboline-3-Carboxamide
CID 3013459
3-[(4-Fluorophenyl)methyl]-7-hydroxy-1-(3,3,3-trifluoropropyl)-8,9-dihydropyrrolo[2,3-c][1,7]naphthyridin-6-one
CID 53237040
(3-Fluorophenyl)-(2-methylindolizin-3-yl)methanone
CID 2322044

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide (CID 10381105) is 1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide is CONC(=O)c1cc2ccn(Cc3ccc(F)cc3F)c2cn1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide?
The InChIKey is IMSFAUQJHWMGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-23-20-16(22)14-6-10-4-5-21(15(10)8-19-14)9-11-2-3-12(17)7-13(11)18/h2-8H,9H2,1H3,(H,20,22).
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide?
1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide has a molecular weight of 317.30 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-N-methoxypyrrolo[2,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 10381105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).