1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one

C25H23FN4O — CID 11509879

IUPAC1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one
SMILESCc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(N4CCCC4=O)cc3)ccc12
InChIInChI=1S/C25H23FN4O/c1-16-21-11-12-22(18-7-9-19(10-8-18)29-13-3-6-23(29)31)24(26)25(21)30(28-16)20-5-2-4-17(14-20)15-27/h2,4-5,7-12,14H,3,6,13,15,27H2,1H3
InChIKeyJGKHUDVYQPUWSH-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.73
Rot. Bonds4

About 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one

1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one (PubChem CID 11509879) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one
PubChem CID11509879
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one
SMILESCc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(N4CCCC4=O)cc3)ccc12
InChIInChI=1S/C25H23FN4O/c1-16-21-11-12-22(18-7-9-19(10-8-18)29-13-3-6-23(29)31)24(26)25(21)30(28-16)20-5-2-4-17(14-20)15-27/h2,4-5,7-12,14H,3,6,13,15,27H2,1H3
InChIKeyJGKHUDVYQPUWSH-UHFFFAOYSA-N
XLogP4.73
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-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 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one (CID 11509879) is 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one is Cc1nn(-c2cccc(CN)c2)c2c(F)c(-c3ccc(N4CCCC4=O)cc3)ccc12.
What is the InChIKey of 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one?
The InChIKey is JGKHUDVYQPUWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c1-16-21-11-12-22(18-7-9-19(10-8-18)29-13-3-6-23(29)31)24(26)25(21)30(28-16)20-5-2-4-17(14-20)15-27/h2,4-5,7-12,14H,3,6,13,15,27H2,1H3.
What are the key properties of 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one?
1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one has a molecular weight of 414.48 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-[3-(aminomethyl)phenyl]-7-fluoro-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 11509879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).