1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one

C24H24N4O — CID 135280527

IUPAC1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(n2ccc3cc(-c4c(C)ccc5[nH]ncc45)ccc32)CC1
InChIInChI=1S/C24H24N4O/c1-3-23(29)27-11-9-19(10-12-27)28-13-8-17-14-18(5-7-22(17)28)24-16(2)4-6-21-20(24)15-25-26-21/h3-8,13-15,19H,1,9-12H2,2H3,(H,25,26)
InChIKeyGIBBBLCFNLEAJU-UHFFFAOYSA-N
MW384.48 g/mol
LogP4.84
Rot. Bonds3

About 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one

1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one (PubChem CID 135280527) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one
PubChem CID135280527
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one
SMILESC=CC(=O)N1CCC(n2ccc3cc(-c4c(C)ccc5[nH]ncc45)ccc32)CC1
InChIInChI=1S/C24H24N4O/c1-3-23(29)27-11-9-19(10-12-27)28-13-8-17-14-18(5-7-22(17)28)24-16(2)4-6-21-20(24)15-25-26-21/h3-8,13-15,19H,1,9-12H2,2H3,(H,25,26)
InChIKeyGIBBBLCFNLEAJU-UHFFFAOYSA-N
XLogP4.84
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-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

1-[3-[3-fluoro-5-(5-methyl-1H-indazol-4-yl)indol-1-yl]azetidin-1-yl]prop-2-en-1-one
CID 135280443
6-(5-methyl-1H-indazol-4-yl)-1-oxo-2-(1-prop-2-enoylpyrrolidin-3-yl)-3H-isoindole-4-carboxamide
CID 134413141
1-[4-[4-(5,6-dimethyl-1H-indazol-4-yl)-5-methyl-3-(1-methylindazol-5-yl)pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 174275752
N-methyl-4-(5-methyl-1H-indazol-4-yl)-2-[(1-prop-2-enoylazetidin-3-yl)amino]benzamide
CID 142320809
1-[3-[7-chloro-6-(5-methyl-1H-indazol-4-yl)quinazolin-2-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 175740466
2-[7-(5-methyl-1H-indazol-4-yl)-2-oxo-3-(1-prop-2-enoylazetidin-3-yl)-4H-quinazolin-1-yl]acetamide
CID 134413594
1-[7-[7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]-2,7-diazaspiro[3.5]nonan-2-yl]prop-2-en-1-one
CID 155683653
1-[4-[4-(5-chloro-1H-indazol-4-yl)-5-methyl-3-(2-methyl-4-pyridinyl)pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 156512527
1-[3-[3-(5-methyl-1H-indazol-4-yl)isoquinolin-7-yl]azetidin-1-yl]prop-2-en-1-one
CID 135271257
1-[3-[2-(5-methyl-1H-indazol-4-yl)-1-benzothiophen-6-yl]azetidin-1-yl]prop-2-en-1-one
CID 135274881
1-[4-[5-chloro-6-(5-methyl-1H-indazol-4-yl)-1,2-benzoxazol-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 138489669
1-[4-[4-(5-chloro-6-methyl-1H-indazol-4-yl)-5-methyl-3-(2-methyl-1,3-dihydroisoindol-5-yl)pyrazol-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 156512506

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one?
The IUPAC name of 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one (CID 135280527) is 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one.
What is the SMILES notation for 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one?
The canonical SMILES for 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(n2ccc3cc(-c4c(C)ccc5[nH]ncc45)ccc32)CC1.
What is the InChIKey of 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one?
The InChIKey is GIBBBLCFNLEAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-3-23(29)27-11-9-19(10-12-27)28-13-8-17-14-18(5-7-22(17)28)24-16(2)4-6-21-20(24)15-25-26-21/h3-8,13-15,19H,1,9-12H2,2H3,(H,25,26).
What are the key properties of 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one?
1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one has a molecular weight of 384.48 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(5-methyl-1H-indazol-4-yl)indol-1-yl]piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 135280527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).