N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride

C26H25Cl2N3O3S — CID 24803251

IUPACN-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCOc1cc(-n2ccc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1NC(=O)CN1CCCC1.Cl
InChIInChI=1S/C26H24ClN3O3S.ClH/c1-33-22-15-20(8-9-21(22)28-24(31)16-29-11-2-3-12-29)30-13-10-18-14-23(34-25(18)26(30)32)17-4-6-19(27)7-5-17;/h4-10,13-15H,2-3,11-12,16H2,1H3,(H,28,31);1H
InChIKeyRBXQMPUSDGIZSF-UHFFFAOYSA-N
MW530.48 g/mol
LogP5.84
Rot. Bonds6

About N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride

N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride (PubChem CID 24803251) has the molecular formula C26H25Cl2N3O3S and a molecular weight of 530.48 g/mol. Its IUPAC name is N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
PubChem CID24803251
Molecular FormulaC26H25Cl2N3O3S
Molecular Weight530.48 g/mol
Exact Mass529.10
IUPAC NameN-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride
SMILESCOc1cc(-n2ccc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1NC(=O)CN1CCCC1.Cl
InChIInChI=1S/C26H24ClN3O3S.ClH/c1-33-22-15-20(8-9-21(22)28-24(31)16-29-11-2-3-12-29)30-13-10-18-14-23(34-25(18)26(30)32)17-4-6-19(27)7-5-17;/h4-10,13-15H,2-3,11-12,16H2,1H3,(H,28,31);1H
InChIKeyRBXQMPUSDGIZSF-UHFFFAOYSA-N
XLogP5.84
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-6-[3-methoxy-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]thieno[2,3-c]pyridin-7-one
CID 24803742
2-(4-chlorophenyl)-6-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]thieno[2,3-c]pyridin-7-one
CID 68949932
4-chloro-N-[2,5-dimethoxy-4-[(2-piperidin-1-ylacetyl)amino]phenyl]benzamide
CID 3195251
2-(azepan-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 6469154
6-(4-chlorophenyl)-3-[4-(3-hydroxypyrrolidin-1-yl)-3-methoxyphenyl]thieno[3,2-d]pyrimidin-4-one
CID 72954268
N-(5-chloro-2-methoxyphenyl)-1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910110
2-[4-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 29162746
6-(4-chlorophenyl)-3-[3-methoxy-4-(2-methyl-2-pyrrolidin-1-ylpropoxy)phenyl]thieno[3,2-d]pyrimidin-4-one
CID 58980830
N-(4-chloro-2,5-dimethoxyphenyl)-2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]acetamide
CID 17378547
N-(2,4-dimethoxyphenyl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1,4-diazepan-1-yl]acetamide
CID 30721755
2-(4-chlorophenyl)-6-[4-(1-hydroxy-4-imino-2-methylpentyl)phenyl]thieno[2,3-c]pyridin-7-one
CID 174571960
N-(2,4-dimethoxyphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 9130137

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The IUPAC name of N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride (CID 24803251) is N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride.
What is the SMILES notation for N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The canonical SMILES for N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride is COc1cc(-n2ccc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1NC(=O)CN1CCCC1.Cl.
What is the InChIKey of N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
The InChIKey is RBXQMPUSDGIZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3S.ClH/c1-33-22-15-20(8-9-21(22)28-24(31)16-29-11-2-3-12-29)30-13-10-18-14-23(34-25(18)26(30)32)17-4-6-19(27)7-5-17;/h4-10,13-15H,2-3,11-12,16H2,1H3,(H,28,31);1H.
What are the key properties of N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride?
N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride has a molecular weight of 530.48 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chlorophenyl)-7-oxothieno[2,3-c]pyridin-6-yl]-2-methoxyphenyl]-2-pyrrolidin-1-ylacetamide;hydrochloride is sourced from PubChem (CID 24803251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).