7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C19H19FN4O2 — CID 146634949

IUPAC7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(N)c2[nH]c(-c3cccc(C4CCCO4)c3F)cc12
InChIInChI=1S/C19H19FN4O2/c1-22-19(25)13-9-23-18(21)17-12(13)8-14(24-17)10-4-2-5-11(16(10)20)15-6-3-7-26-15/h2,4-5,8-9,15,24H,3,6-7H2,1H3,(H2,21,23)(H,22,25)
InChIKeyPWACSBBOKASVPP-UHFFFAOYSA-N
MW354.39 g/mol
LogP3.16
Rot. Bonds3

About 7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146634949) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146634949
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(N)c2[nH]c(-c3cccc(C4CCCO4)c3F)cc12
InChIInChI=1S/C19H19FN4O2/c1-22-19(25)13-9-23-18(21)17-12(13)8-14(24-17)10-4-2-5-11(16(10)20)15-6-3-7-26-15/h2,4-5,8-9,15,24H,3,6-7H2,1H3,(H2,21,23)(H,22,25)
InChIKeyPWACSBBOKASVPP-UHFFFAOYSA-N
XLogP3.16
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146634949) is 7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(N)c2[nH]c(-c3cccc(C4CCCO4)c3F)cc12.
What is the InChIKey of 7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is PWACSBBOKASVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c1-22-19(25)13-9-23-18(21)17-12(13)8-14(24-17)10-4-2-5-11(16(10)20)15-6-3-7-26-15/h2,4-5,8-9,15,24H,3,6-7H2,1H3,(H2,21,23)(H,22,25).
What are the key properties of 7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 354.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-[2-fluoro-3-(oxolan-2-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146634949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).