2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride

C22H19Cl2N3O2S — CID 24758095

IUPAC2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride
SMILESCl.O=c1c2sc(-c3ccc(Cl)cc3)cc2ccn1-c1ccc(O[C@@H]2CCNC2)nc1
InChIInChI=1S/C22H18ClN3O2S.ClH/c23-16-3-1-14(2-4-16)19-11-15-8-10-26(22(27)21(15)29-19)17-5-6-20(25-12-17)28-18-7-9-24-13-18;/h1-6,8,10-12,18,24H,7,9,13H2;1H/t18-;/m1./s1
InChIKeyHIFQRRSWEAAFMW-GMUIIQOCSA-N
MW460.39 g/mol
LogP4.93
Rot. Bonds4

About 2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride

2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride (PubChem CID 24758095) has the molecular formula C22H19Cl2N3O2S and a molecular weight of 460.39 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride
PubChem CID24758095
Molecular FormulaC22H19Cl2N3O2S
Molecular Weight460.39 g/mol
Exact Mass459.06
IUPAC Name2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride
SMILESCl.O=c1c2sc(-c3ccc(Cl)cc3)cc2ccn1-c1ccc(O[C@@H]2CCNC2)nc1
InChIInChI=1S/C22H18ClN3O2S.ClH/c23-16-3-1-14(2-4-16)19-11-15-8-10-26(22(27)21(15)29-19)17-5-6-20(25-12-17)28-18-7-9-24-13-18;/h1-6,8,10-12,18,24H,7,9,13H2;1H/t18-;/m1./s1
InChIKeyHIFQRRSWEAAFMW-GMUIIQOCSA-N
XLogP4.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride (CID 24758095) is 2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride is Cl.O=c1c2sc(-c3ccc(Cl)cc3)cc2ccn1-c1ccc(O[C@@H]2CCNC2)nc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride?
The InChIKey is HIFQRRSWEAAFMW-GMUIIQOCSA-N. The full InChI is InChI=1S/C22H18ClN3O2S.ClH/c23-16-3-1-14(2-4-16)19-11-15-8-10-26(22(27)21(15)29-19)17-5-6-20(25-12-17)28-18-7-9-24-13-18;/h1-6,8,10-12,18,24H,7,9,13H2;1H/t18-;/m1./s1.
What are the key properties of 2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride?
2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride has a molecular weight of 460.39 g/mol, XLogP of 4.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[6-[(3R)-pyrrolidin-3-yl]oxy-3-pyridinyl]thieno[2,3-c]pyridin-7-one;hydrochloride is sourced from PubChem (CID 24758095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).