2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one

C24H22N6O2 — CID 58015546

IUPAC2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2cc(-c3cncnc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C24H22N6O2/c31-24-20-12-23(18-13-25-16-26-14-18)32-22(20)5-8-29(24)19-3-4-21-17(11-19)15-27-30(21)10-9-28-6-1-2-7-28/h3-5,8,11-16H,1-2,6-7,9-10H2
InChIKeyZWJLGSCFOBPHGH-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.49
Rot. Bonds5

About 2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one

2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one (PubChem CID 58015546) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
PubChem CID58015546
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2cc(-c3cncnc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C24H22N6O2/c31-24-20-12-23(18-13-25-16-26-14-18)32-22(20)5-8-29(24)19-3-4-21-17(11-19)15-27-30(21)10-9-28-6-1-2-7-28/h3-5,8,11-16H,1-2,6-7,9-10H2
InChIKeyZWJLGSCFOBPHGH-UHFFFAOYSA-N
XLogP3.49
TPSA81.98 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one (CID 58015546) is 2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one is O=c1c2cc(-c3cncnc3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The InChIKey is ZWJLGSCFOBPHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-24-20-12-23(18-13-25-16-26-14-18)32-22(20)5-8-29(24)19-3-4-21-17(11-19)15-27-30(21)10-9-28-6-1-2-7-28/h3-5,8,11-16H,1-2,6-7,9-10H2.
What are the key properties of 2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one has a molecular weight of 426.48 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 58015546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).