1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid

C24H18FN5O3 — CID 25226023

IUPAC1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCc1nc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc(N)nc4ccccc34)c2cc1F
InChIInChI=1S/C24H18FN5O3/c1-12-16(25)10-18-21(28-12)20(15-6-4-8-27-23(15)31)22(24(32)33)30(18)11-13-9-19(26)29-17-7-3-2-5-14(13)17/h2-10H,11H2,1H3,(H2,26,29)(H,27,31)(H,32,33)
InChIKeyZHZHRLQSWCVBEC-UHFFFAOYSA-N
MW443.44 g/mol
LogP3.72
Rot. Bonds4

About 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid

1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 25226023) has the molecular formula C24H18FN5O3 and a molecular weight of 443.44 g/mol. Its IUPAC name is 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
PubChem CID25226023
Molecular FormulaC24H18FN5O3
Molecular Weight443.44 g/mol
Exact Mass443.14
IUPAC Name1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
SMILESCc1nc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc(N)nc4ccccc34)c2cc1F
InChIInChI=1S/C24H18FN5O3/c1-12-16(25)10-18-21(28-12)20(15-6-4-8-27-23(15)31)22(24(32)33)30(18)11-13-9-19(26)29-17-7-3-2-5-14(13)17/h2-10H,11H2,1H3,(H2,26,29)(H,27,31)(H,32,33)
InChIKeyZHZHRLQSWCVBEC-UHFFFAOYSA-N
XLogP3.72
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The IUPAC name of 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 25226023) is 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The canonical SMILES for 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid is Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc(N)nc4ccccc34)c2cc1F.
What is the InChIKey of 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?
The InChIKey is ZHZHRLQSWCVBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5O3/c1-12-16(25)10-18-21(28-12)20(15-6-4-8-27-23(15)31)22(24(32)33)30(18)11-13-9-19(26)29-17-7-3-2-5-14(13)17/h2-10H,11H2,1H3,(H2,26,29)(H,27,31)(H,32,33).
What are the key properties of 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?
1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 443.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 25226023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).