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'}

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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).