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

C23H22ClN5O — CID 25206134

IUPAC4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(-c2ccc(Cl)cn2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C23H22ClN5O/c24-19-3-5-21(25-16-19)17-7-10-28(23(30)14-17)20-4-6-22-18(13-20)15-26-29(22)12-11-27-8-1-2-9-27/h3-7,10,13-16H,1-2,8-9,11-12H2
InChIKeyQFRQJQDJGCEJRQ-UHFFFAOYSA-N
MW419.92 g/mol
LogP4.00
Rot. Bonds5

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

4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25206134) has the molecular formula C23H22ClN5O and a molecular weight of 419.92 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25206134
Molecular FormulaC23H22ClN5O
Molecular Weight419.92 g/mol
Exact Mass419.15
IUPAC Name4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(-c2ccc(Cl)cn2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C23H22ClN5O/c24-19-3-5-21(25-16-19)17-7-10-28(23(30)14-17)20-4-6-22-18(13-20)15-26-29(22)12-11-27-8-1-2-9-27/h3-7,10,13-16H,1-2,8-9,11-12H2
InChIKeyQFRQJQDJGCEJRQ-UHFFFAOYSA-N
XLogP4.00
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.92
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(5-chloro-2-pyridinyl)-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-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25206134) is 4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(-c2ccc(Cl)cn2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is QFRQJQDJGCEJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O/c24-19-3-5-21(25-16-19)17-7-10-28(23(30)14-17)20-4-6-22-18(13-20)15-26-29(22)12-11-27-8-1-2-9-27/h3-7,10,13-16H,1-2,8-9,11-12H2.
What are the key properties of 4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 419.92 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25206134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).