4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C27H27N5O — CID 25205321

IUPAC4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCn1ccc2cc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)ccc21
InChIInChI=1S/C27H27N5O/c1-29-12-8-22-16-20(4-6-25(22)29)21-9-13-31(27(33)18-21)24-5-7-26-23(17-24)19-28-32(26)15-14-30-10-2-3-11-30/h4-9,12-13,16-19H,2-3,10-11,14-15H2,1H3
InChIKeyNYJHZFWHFQOAOD-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.44
Rot. Bonds5

About 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25205321) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25205321
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCn1ccc2cc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)ccc21
InChIInChI=1S/C27H27N5O/c1-29-12-8-22-16-20(4-6-25(22)29)21-9-13-31(27(33)18-21)24-5-7-26-23(17-24)19-28-32(26)15-14-30-10-2-3-11-30/h4-9,12-13,16-19H,2-3,10-11,14-15H2,1H3
InChIKeyNYJHZFWHFQOAOD-UHFFFAOYSA-N
XLogP4.44
TPSA47.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-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 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25205321) is 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is Cn1ccc2cc(-c3ccn(-c4ccc5c(cnn5CCN5CCCC5)c4)c(=O)c3)ccc21.
What is the InChIKey of 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is NYJHZFWHFQOAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c1-29-12-8-22-16-20(4-6-25(22)29)21-9-13-31(27(33)18-21)24-5-7-26-23(17-24)19-28-32(26)15-14-30-10-2-3-11-30/h4-9,12-13,16-19H,2-3,10-11,14-15H2,1H3.
What are the key properties of 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 437.55 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylindol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25205321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).