2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one

C21H20ClN5OS — CID 75110165

IUPAC2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one
SMILESCNC1CCN(c2ncc(N3Cc4cc(-c5ccc(Cl)cc5)sc4C3=O)cn2)C1
InChIInChI=1S/C21H20ClN5OS/c1-23-16-6-7-26(12-16)21-24-9-17(10-25-21)27-11-14-8-18(29-19(14)20(27)28)13-2-4-15(22)5-3-13/h2-5,8-10,16,23H,6-7,11-12H2,1H3
InChIKeyOGSKHIGFVWNSTG-UHFFFAOYSA-N
MW425.95 g/mol
LogP3.82
Rot. Bonds4

About 2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one

2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one (PubChem CID 75110165) has the molecular formula C21H20ClN5OS and a molecular weight of 425.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one
PubChem CID75110165
Molecular FormulaC21H20ClN5OS
Molecular Weight425.95 g/mol
Exact Mass425.11
IUPAC Name2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one
SMILESCNC1CCN(c2ncc(N3Cc4cc(-c5ccc(Cl)cc5)sc4C3=O)cn2)C1
InChIInChI=1S/C21H20ClN5OS/c1-23-16-6-7-26(12-16)21-24-9-17(10-25-21)27-11-14-8-18(29-19(14)20(27)28)13-2-4-15(22)5-3-13/h2-5,8-10,16,23H,6-7,11-12H2,1H3
InChIKeyOGSKHIGFVWNSTG-UHFFFAOYSA-N
XLogP3.82
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.95
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 66673532
2-(4-chlorophenyl)-5-[6-[(3R)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 163677993
2-(4-chlorophenyl)-6-[6-[(3R)-3-(cyclopropylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 24758106
2-(4-chlorophenyl)-6-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one;hydrochloride
CID 24759455
6-(4-chlorophenyl)-4-[3-(methylamino)pyrrolidin-1-yl]pyridin-2-amine
CID 25095032
2-(4-chlorophenyl)-5-[4-[(3R,4R)-3,4-dihydroxy-1-methylcyclopentyl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 163957337
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129
2-(5-chloro-2-pyridinyl)-5-[4-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-3-methoxyphenyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 45280610
2-(4-chlorophenyl)-6-[3-methoxy-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]thieno[2,3-c]pyridin-7-one
CID 24803742
2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 175897249
N-methyl-1-[5-(2-methylphenyl)pyrimidin-2-yl]pyrrolidin-3-amine
CID 116976754
6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 24759568

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one?
The IUPAC name of 2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one (CID 75110165) is 2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one is CNC1CCN(c2ncc(N3Cc4cc(-c5ccc(Cl)cc5)sc4C3=O)cn2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one?
The InChIKey is OGSKHIGFVWNSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5OS/c1-23-16-6-7-26(12-16)21-24-9-17(10-25-21)27-11-14-8-18(29-19(14)20(27)28)13-2-4-15(22)5-3-13/h2-5,8-10,16,23H,6-7,11-12H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one?
2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one has a molecular weight of 425.95 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 75110165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).