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

C25H27N5O — CID 25055055

IUPAC4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(NCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H27N5O/c31-25-17-22(26-18-20-6-2-1-3-7-20)10-13-29(25)23-8-9-24-21(16-23)19-27-30(24)15-14-28-11-4-5-12-28/h1-3,6-10,13,16-17,19,26H,4-5,11-12,14-15,18H2
InChIKeyKUBUAUQLLFNUIN-UHFFFAOYSA-N
MW413.53 g/mol
LogP3.90
Rot. Bonds7

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

4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (PubChem CID 25055055) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.

Molecular Properties

Compound Name4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
PubChem CID25055055
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
SMILESO=c1cc(NCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H27N5O/c31-25-17-22(26-18-20-6-2-1-3-7-20)10-13-29(25)23-8-9-24-21(16-23)19-27-30(24)15-14-28-11-4-5-12-28/h1-3,6-10,13,16-17,19,26H,4-5,11-12,14-15,18H2
InChIKeyKUBUAUQLLFNUIN-UHFFFAOYSA-N
XLogP3.90
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The IUPAC name of 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one (CID 25055055) is 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one.
What is the SMILES notation for 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The canonical SMILES for 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is O=c1cc(NCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
The InChIKey is KUBUAUQLLFNUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c31-25-17-22(26-18-20-6-2-1-3-7-20)10-13-29(25)23-8-9-24-21(16-23)19-27-30(24)15-14-28-11-4-5-12-28/h1-3,6-10,13,16-17,19,26H,4-5,11-12,14-15,18H2.
What are the key properties of 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one?
4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one has a molecular weight of 413.53 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one is sourced from PubChem (CID 25055055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).