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

C25H26N4O — CID 25205153

IUPAC4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc1
InChIInChI=1S/C25H26N4O/c1-19-4-6-20(7-5-19)21-10-13-28(25(30)17-21)23-8-9-24-22(16-23)18-26-29(24)15-14-27-11-2-3-12-27/h4-10,13,16-18H,2-3,11-12,14-15H2,1H3
InChIKeyCTBMHSZKHXZDPB-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.26
Rot. Bonds5

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

4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25205153) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25205153
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESCc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc1
InChIInChI=1S/C25H26N4O/c1-19-4-6-20(7-5-19)21-10-13-28(25(30)17-21)23-8-9-24-22(16-23)18-26-29(24)15-14-27-11-2-3-12-27/h4-10,13,16-18H,2-3,11-12,14-15H2,1H3
InChIKeyCTBMHSZKHXZDPB-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-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25205153) is 4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is Cc1ccc(-c2ccn(-c3ccc4c(cnn4CCN4CCCC4)c3)c(=O)c2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is CTBMHSZKHXZDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-19-4-6-20(7-5-19)21-10-13-28(25(30)17-21)23-8-9-24-22(16-23)18-26-29(24)15-14-27-11-2-3-12-27/h4-10,13,16-18H,2-3,11-12,14-15H2,1H3.
What are the key properties of 4-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(4-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-(4-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25205153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).