6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one

C22H25FN6O2 — CID 135980563

IUPAC6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(CC(=O)N2CCc3nc(-c4cc5cc(F)ccc5[nH]c4=O)[nH]c3C2)CC1
InChIInChI=1S/C22H25FN6O2/c1-27-6-8-28(9-7-27)13-20(30)29-5-4-18-19(12-29)25-21(24-18)16-11-14-10-15(23)2-3-17(14)26-22(16)31/h2-3,10-11H,4-9,12-13H2,1H3,(H,24,25)(H,26,31)
InChIKeyGYSWSMFLEVRYIP-UHFFFAOYSA-N
MW424.48 g/mol
LogP1.19
Rot. Bonds3

About 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one

6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (PubChem CID 135980563) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
PubChem CID135980563
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one
SMILESCN1CCN(CC(=O)N2CCc3nc(-c4cc5cc(F)ccc5[nH]c4=O)[nH]c3C2)CC1
InChIInChI=1S/C22H25FN6O2/c1-27-6-8-28(9-7-27)13-20(30)29-5-4-18-19(12-29)25-21(24-18)16-11-14-10-15(23)2-3-17(14)26-22(16)31/h2-3,10-11H,4-9,12-13H2,1H3,(H,24,25)(H,26,31)
InChIKeyGYSWSMFLEVRYIP-UHFFFAOYSA-N
XLogP1.19
TPSA88.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one 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 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The IUPAC name of 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one (CID 135980563) is 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one.
What is the SMILES notation for 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The canonical SMILES for 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is CN1CCN(CC(=O)N2CCc3nc(-c4cc5cc(F)ccc5[nH]c4=O)[nH]c3C2)CC1.
What is the InChIKey of 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
The InChIKey is GYSWSMFLEVRYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-27-6-8-28(9-7-27)13-20(30)29-5-4-18-19(12-29)25-21(24-18)16-11-14-10-15(23)2-3-17(14)26-22(16)31/h2-3,10-11H,4-9,12-13H2,1H3,(H,24,25)(H,26,31).
What are the key properties of 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one?
6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one has a molecular weight of 424.48 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[5-[2-(4-methylpiperazin-1-yl)acetyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]-1H-quinolin-2-one is sourced from PubChem (CID 135980563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).