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

C25H24Cl3N5O2 — CID 66672839

IUPAC2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;dihydrochloride
SMILESCl.Cl.O=c1c2cc(-c3ccc(Cl)cn3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H22ClN5O2.2ClH/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;2*1H
InChIKeyTYIUKAGXBCZICA-UHFFFAOYSA-N
MW532.86 g/mol
LogP5.59
Rot. Bonds5

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

2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;dihydrochloride (PubChem CID 66672839) has the molecular formula C25H24Cl3N5O2 and a molecular weight of 532.86 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;dihydrochloride.

Molecular Properties

Compound Name2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;dihydrochloride
PubChem CID66672839
Molecular FormulaC25H24Cl3N5O2
Molecular Weight532.86 g/mol
Exact Mass531.10
IUPAC Name2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;dihydrochloride
SMILESCl.Cl.O=c1c2cc(-c3ccc(Cl)cn3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1
InChIInChI=1S/C25H22ClN5O2.2ClH/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;2*1H
InChIKeyTYIUKAGXBCZICA-UHFFFAOYSA-N
XLogP5.59
TPSA69.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.86
LogP ≤ 55.59
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;dihydrochloride?
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;dihydrochloride (CID 66672839) is 2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;dihydrochloride.
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;dihydrochloride?
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;dihydrochloride is Cl.Cl.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;dihydrochloride?
The InChIKey is TYIUKAGXBCZICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN5O2.2ClH/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;2*1H.
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;dihydrochloride?
2-(5-chloro-2-pyridinyl)-5-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]furo[3,2-c]pyridin-4-one;dihydrochloride has a molecular weight of 532.86 g/mol, XLogP of 5.59, 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;dihydrochloride is sourced from PubChem (CID 66672839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).