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

C25H22ClN5O2 — CID 25017820

IUPAC2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2cc(-c3ccc(Cl)cn3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H22ClN5O2/c26-18-3-5-21(27-16-18)24-14-20-23(33-24)7-10-30(25(20)32)19-4-6-22-17(13-19)15-28-31(22)12-11-29-8-1-2-9-29/h3-7,10,13-16H,1-2,8-9,11-12H2
InChIKeyJNHFFBARZMOSSD-UHFFFAOYSA-N
MW459.94 g/mol
LogP4.74
Rot. Bonds5

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

2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one (PubChem CID 25017820) has the molecular formula C25H22ClN5O2 and a molecular weight of 459.94 g/mol. Its IUPAC name is 2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
PubChem CID25017820
Molecular FormulaC25H22ClN5O2
Molecular Weight459.94 g/mol
Exact Mass459.15
IUPAC Name2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one
SMILESO=c1c2cc(-c3ccc(Cl)cn3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H22ClN5O2/c26-18-3-5-21(27-16-18)24-14-20-23(33-24)7-10-30(25(20)32)19-4-6-22-17(13-19)15-28-31(22)12-11-29-8-1-2-9-29/h3-7,10,13-16H,1-2,8-9,11-12H2
InChIKeyJNHFFBARZMOSSD-UHFFFAOYSA-N
XLogP4.74
TPSA69.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.94
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The IUPAC name of 2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one (CID 25017820) is 2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The canonical SMILES for 2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one is O=c1c2cc(-c3ccc(Cl)cn3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1.
What is the InChIKey of 2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
The InChIKey is JNHFFBARZMOSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2/c26-18-3-5-21(27-16-18)24-14-20-23(33-24)7-10-30(25(20)32)19-4-6-22-17(13-19)15-28-31(22)12-11-29-8-1-2-9-29/h3-7,10,13-16H,1-2,8-9,11-12H2.
What are the key properties of 2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one?
2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one has a molecular weight of 459.94 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 25017820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).