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

C26H26N4O — CID 24774293

IUPAC1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one
SMILESCc1nn(-c2cccc(CN)c2)c2cc(-c3ccc(N4CCCCC4=O)cc3)ccc12
InChIInChI=1S/C26H26N4O/c1-18-24-13-10-21(16-25(24)30(28-18)23-6-4-5-19(15-23)17-27)20-8-11-22(12-9-20)29-14-3-2-7-26(29)31/h4-6,8-13,15-16H,2-3,7,14,17,27H2,1H3
InChIKeyZRUOGDLLXUDOMG-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.98
Rot. Bonds4

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

1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one (PubChem CID 24774293) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one
PubChem CID24774293
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one
SMILESCc1nn(-c2cccc(CN)c2)c2cc(-c3ccc(N4CCCCC4=O)cc3)ccc12
InChIInChI=1S/C26H26N4O/c1-18-24-13-10-21(16-25(24)30(28-18)23-6-4-5-19(15-23)17-27)20-8-11-22(12-9-20)29-14-3-2-7-26(29)31/h4-6,8-13,15-16H,2-3,7,14,17,27H2,1H3
InChIKeyZRUOGDLLXUDOMG-UHFFFAOYSA-N
XLogP4.98
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{4-[1-(3-aminomethylphenyl)-7-fluoro-3-methyl-1H-indazol-6-yl]phenyl}pyrrolidin-2-one
CID 11509879
1-{4-[1-(3-aminomethylphenyl)-7-fluoro-3-methyl-1H-indazol-6-yl]phenyl}piperidin-2-one
CID 11704628
N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45269261
N-benzyl-5-(3-methylindazol-1-yl)-5-oxopentanamide
CID 22510283
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-(2-oxo-1-piperidinyl)butanamide
CID 24791017
N-[[1-(3-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45267528
N-[[1-(2-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45268408
N-[[1-(2,6-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45269264
N-[(1-phenylindazol-5-yl)methyl]-2-propylpentanamide
CID 45270943
N-[[1-(2,3-dimethylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45270944
2-propyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)indazol-5-yl]methyl]pentanamide
CID 45273586
9-amino-N-benzyl-6-(1-methylpyrazol-4-yl)-1,2,3,4-tetrahydroacridine-2-carboxamide
CID 145966920

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one (CID 24774293) is 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one is Cc1nn(-c2cccc(CN)c2)c2cc(-c3ccc(N4CCCCC4=O)cc3)ccc12.
What is the InChIKey of 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one?
The InChIKey is ZRUOGDLLXUDOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-18-24-13-10-21(16-25(24)30(28-18)23-6-4-5-19(15-23)17-27)20-8-11-22(12-9-20)29-14-3-2-7-26(29)31/h4-6,8-13,15-16H,2-3,7,14,17,27H2,1H3.
What are the key properties of 1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one?
1-[4-[1-[3-(aminomethyl)phenyl]-3-methylindazol-6-yl]phenyl]piperidin-2-one has a molecular weight of 410.52 g/mol, XLogP of 4.98, 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]piperidin-2-one is sourced from PubChem (CID 24774293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).