1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide

C17H15F2N3O2 — CID 146602172

IUPAC1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1cn(Cc2cccc(F)c2F)c2c(OC)ccnc12
InChIInChI=1S/C17H15F2N3O2/c1-20-17(23)11-9-22(8-10-4-3-5-12(18)14(10)19)16-13(24-2)6-7-21-15(11)16/h3-7,9H,8H2,1-2H3,(H,20,23)
InChIKeyDCYRECFLVXPCKT-UHFFFAOYSA-N
MW331.32 g/mol
LogP2.73
Rot. Bonds4

About 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide

1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 146602172) has the molecular formula C17H15F2N3O2 and a molecular weight of 331.32 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID146602172
Molecular FormulaC17H15F2N3O2
Molecular Weight331.32 g/mol
Exact Mass331.11
IUPAC Name1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCNC(=O)c1cn(Cc2cccc(F)c2F)c2c(OC)ccnc12
InChIInChI=1S/C17H15F2N3O2/c1-20-17(23)11-9-22(8-10-4-3-5-12(18)14(10)19)16-13(24-2)6-7-21-15(11)16/h3-7,9H,8H2,1-2H3,(H,20,23)
InChIKeyDCYRECFLVXPCKT-UHFFFAOYSA-N
XLogP2.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,3-difluorophenyl)methyl]-N-[(1S)-2-hydroxycyclohexyl]-7-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
CID 138672994
N-[[1-[(2,3-difluorophenyl)methyl]imidazol-2-yl]methyl]ethanamine
CID 62223730
2-(2,3-difluorophenyl)-1-quinolin-8-ylethanone
CID 115790827
methyl 4-amino-1-[(2,3-difluorophenyl)methyl]pyrazole-3-carboxylate
CID 107344693
4-[(2,3-difluorophenyl)methoxy]-3-methoxybenzoic acid
CID 43233816
(Z)-4-hydroxy-4-[4-methoxy-1-[(2,3,4-trifluorophenyl)methyl]indol-3-yl]-2-oxobut-3-enoic acid
CID 25193236
methyl 2-[1-[(2,3-difluorophenyl)methyl]-4,6-dimethylpyrrolo[2,3-b]pyridin-5-yl]acetate
CID 123611360
5-[(2-fluorophenyl)methylsulfamoyl]-2-methoxy-N-methylbenzamide
CID 53282833
6,8-difluoro-1-[(2-methoxyphenyl)methyl]-3-(4-methylbenzoyl)quinolin-4-one
CID 2134982
1-(2,3-difluorophenyl)-3-(methylamino)propan-2-one
CID 116553856
1-[(2,3-difluoro-4-pyridinyl)methyl]-4-fluoro-N-[(1S,2S)-2-hydroxycyclohexyl]indole-3-carboxamide
CID 135312875
1-[(2-fluorophenyl)methyl]-3-N-methyl-2-oxopyridine-3,5-dicarboxamide
CID 126676266

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 146602172) is 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide is CNC(=O)c1cn(Cc2cccc(F)c2F)c2c(OC)ccnc12.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is DCYRECFLVXPCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O2/c1-20-17(23)11-9-22(8-10-4-3-5-12(18)14(10)19)16-13(24-2)6-7-21-15(11)16/h3-7,9H,8H2,1-2H3,(H,20,23).
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 331.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-7-methoxy-N-methylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 146602172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).