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

C25H24N4O — CID 24774292

IUPAC1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one
SMILESCc1nn(-c2cccc(CN)c2)c2cc(-c3ccc(N4CCCC4=O)cc3)ccc12
InChIInChI=1S/C25H24N4O/c1-17-23-12-9-20(19-7-10-21(11-8-19)28-13-3-6-25(28)30)15-24(23)29(27-17)22-5-2-4-18(14-22)16-26/h2,4-5,7-12,14-15H,3,6,13,16,26H2,1H3
InChIKeyXGRNLVFNWUBURD-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.59
Rot. Bonds4

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

1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one (PubChem CID 24774292) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one
PubChem CID24774292
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one
SMILESCc1nn(-c2cccc(CN)c2)c2cc(-c3ccc(N4CCCC4=O)cc3)ccc12
InChIInChI=1S/C25H24N4O/c1-17-23-12-9-20(19-7-10-21(11-8-19)28-13-3-6-25(28)30)15-24(23)29(27-17)22-5-2-4-18(14-22)16-26/h2,4-5,7-12,14-15H,3,6,13,16,26H2,1H3
InChIKeyXGRNLVFNWUBURD-UHFFFAOYSA-N
XLogP4.59
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one (CID 24774292) is 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one is Cc1nn(-c2cccc(CN)c2)c2cc(-c3ccc(N4CCCC4=O)cc3)ccc12.
What is the InChIKey of 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one?
The InChIKey is XGRNLVFNWUBURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-17-23-12-9-20(19-7-10-21(11-8-19)28-13-3-6-25(28)30)15-24(23)29(27-17)22-5-2-4-18(14-22)16-26/h2,4-5,7-12,14-15H,3,6,13,16,26H2,1H3.
What are the key properties of 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one?
1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one has a molecular weight of 396.49 g/mol, XLogP of 4.59, 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]-3-methylindazol-6-yl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 24774292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).