1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide

C16H14FN3O — CID 118002286

IUPAC1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1ccnc2c(C(N)=O)cn(Cc3ccc(F)cc3)c12
InChIInChI=1S/C16H14FN3O/c1-10-6-7-19-14-13(16(18)21)9-20(15(10)14)8-11-2-4-12(17)5-3-11/h2-7,9H,8H2,1H3,(H2,18,21)
InChIKeySWRLKDJCMLFHCV-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.63
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide

1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 118002286) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID118002286
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCc1ccnc2c(C(N)=O)cn(Cc3ccc(F)cc3)c12
InChIInChI=1S/C16H14FN3O/c1-10-6-7-19-14-13(16(18)21)9-20(15(10)14)8-11-2-4-12(17)5-3-11/h2-7,9H,8H2,1H3,(H2,18,21)
InChIKeySWRLKDJCMLFHCV-UHFFFAOYSA-N
XLogP2.63
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide (CID 118002286) is 1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide is Cc1ccnc2c(C(N)=O)cn(Cc3ccc(F)cc3)c12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is SWRLKDJCMLFHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c1-10-6-7-19-14-13(16(18)21)9-20(15(10)14)8-11-2-4-12(17)5-3-11/h2-7,9H,8H2,1H3,(H2,18,21).
What are the key properties of 1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide?
1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 283.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-7-methylpyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 118002286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).