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

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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).