4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

C25H26N4O — CID 52948459

IUPAC4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCc1cccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c1
InChIInChI=1S/C25H26N4O/c1-19-5-4-6-20(15-19)21-9-12-28(25(30)17-21)23-7-8-24-22(16-23)18-26-29(24)14-13-27-10-2-3-11-27/h4-9,12,15-18H,2-3,10-11,13-14H2,1H3
InChIKeyUKXJAMQXIPOPOZ-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.26
Rot. Bonds5

About 4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one

4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 52948459) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID52948459
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCc1cccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c1
InChIInChI=1S/C25H26N4O/c1-19-5-4-6-20(15-19)21-9-12-28(25(30)17-21)23-7-8-24-22(16-23)18-26-29(24)14-13-27-10-2-3-11-27/h4-9,12,15-18H,2-3,10-11,13-14H2,1H3
InChIKeyUKXJAMQXIPOPOZ-UHFFFAOYSA-N
XLogP4.26
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 52948459) is 4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is Cc1cccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)c1.
What is the InChIKey of 4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is UKXJAMQXIPOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-19-5-4-6-20(15-19)21-9-12-28(25(30)17-21)23-7-8-24-22(16-23)18-26-29(24)14-13-27-10-2-3-11-27/h4-9,12,15-18H,2-3,10-11,13-14H2,1H3.
What are the key properties of 4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 398.51 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 52948459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).