2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one

C26H23F2N3O2 — CID 175938860

IUPAC2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one
SMILESO=C(c1cn(-c2cc(F)cc3c2ccn3C2CC2)c(=O)c2ccc(F)cc12)N1CCCCC1
InChIInChI=1S/C26H23F2N3O2/c27-16-4-7-19-21(12-16)22(25(32)29-9-2-1-3-10-29)15-31(26(19)33)24-14-17(28)13-23-20(24)8-11-30(23)18-5-6-18/h4,7-8,11-15,18H,1-3,5-6,9-10H2
InChIKeyMCRZNPUWGXWKRT-UHFFFAOYSA-N
MW447.49 g/mol
LogP5.18
Rot. Bonds3

About 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one

2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one (PubChem CID 175938860) has the molecular formula C26H23F2N3O2 and a molecular weight of 447.49 g/mol. Its IUPAC name is 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one.

Molecular Properties

Compound Name2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one
PubChem CID175938860
Molecular FormulaC26H23F2N3O2
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one
SMILESO=C(c1cn(-c2cc(F)cc3c2ccn3C2CC2)c(=O)c2ccc(F)cc12)N1CCCCC1
InChIInChI=1S/C26H23F2N3O2/c27-16-4-7-19-21(12-16)22(25(32)29-9-2-1-3-10-29)15-31(26(19)33)24-14-17(28)13-23-20(24)8-11-30(23)18-5-6-18/h4,7-8,11-15,18H,1-3,5-6,9-10H2
InChIKeyMCRZNPUWGXWKRT-UHFFFAOYSA-N
XLogP5.18
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.49
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-(1-cyclopropyl-6-fluoroindol-4-yl)-6,7-dimethoxy-4-(piperidine-1-carbonyl)isoquinolin-1-one
CID 175938937
2-[6-fluoro-1-(trideuteriomethyl)indol-4-yl]-4-(piperidine-1-carbonyl)-6,7-bis(trideuteriomethoxy)isoquinolin-1-one
CID 175938853
2-(2,4-difluorophenyl)-4-(2-methylpiperidine-1-carbonyl)isoquinolin-1-one
CID 23987235
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
azepan-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 112702240
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
[6-fluoro-2-(4-fluorophenyl)-1,3-benzodioxol-5-yl]-piperidin-1-ylmethanone
CID 142857708
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206150
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one?
The IUPAC name of 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one (CID 175938860) is 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one.
What is the SMILES notation for 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one?
The canonical SMILES for 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one is O=C(c1cn(-c2cc(F)cc3c2ccn3C2CC2)c(=O)c2ccc(F)cc12)N1CCCCC1.
What is the InChIKey of 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one?
The InChIKey is MCRZNPUWGXWKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N3O2/c27-16-4-7-19-21(12-16)22(25(32)29-9-2-1-3-10-29)15-31(26(19)33)24-14-17(28)13-23-20(24)8-11-30(23)18-5-6-18/h4,7-8,11-15,18H,1-3,5-6,9-10H2.
What are the key properties of 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one?
2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one has a molecular weight of 447.49 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyl-6-fluoroindol-4-yl)-6-fluoro-4-(piperidine-1-carbonyl)isoquinolin-1-one is sourced from PubChem (CID 175938860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).