2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one

C23H23ClN4OS — CID 66673532

IUPAC2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESCNC1CCN(c2ccc(N3CCc4cc(-c5ccc(Cl)cc5)sc4C3=O)cn2)C1
InChIInChI=1S/C23H23ClN4OS/c1-25-18-9-10-27(14-18)21-7-6-19(13-26-21)28-11-8-16-12-20(30-22(16)23(28)29)15-2-4-17(24)5-3-15/h2-7,12-13,18,25H,8-11,14H2,1H3
InChIKeyZKRFIDLXHFXGRZ-UHFFFAOYSA-N
MW438.98 g/mol
LogP4.46
Rot. Bonds4

About 2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one

2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one (PubChem CID 66673532) has the molecular formula C23H23ClN4OS and a molecular weight of 438.98 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
PubChem CID66673532
Molecular FormulaC23H23ClN4OS
Molecular Weight438.98 g/mol
Exact Mass438.13
IUPAC Name2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
SMILESCNC1CCN(c2ccc(N3CCc4cc(-c5ccc(Cl)cc5)sc4C3=O)cn2)C1
InChIInChI=1S/C23H23ClN4OS/c1-25-18-9-10-27(14-18)21-7-6-19(13-26-21)28-11-8-16-12-20(30-22(16)23(28)29)15-2-4-17(24)5-3-15/h2-7,12-13,18,25H,8-11,14H2,1H3
InChIKeyZKRFIDLXHFXGRZ-UHFFFAOYSA-N
XLogP4.46
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.98
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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)-5-[2-[3-(methylamino)pyrrolidin-1-yl]pyrimidin-5-yl]-4H-thieno[2,3-c]pyrrol-6-one
CID 75110165
2-(4-chlorophenyl)-5-[6-[(3R)-3-methylpyrrolidin-1-yl]-3-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one
CID 163677993
6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethoxy)phenyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 24759568
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
N-methyl-1-(5-methyl-2-pyridinyl)pyrrolidin-3-amine
CID 59535689
1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
CID 135136650
2-(4-chlorophenyl)-6-[3-methoxy-4-[(3S)-3-(methylamino)pyrrolidin-1-yl]phenyl]thieno[2,3-c]pyridin-7-one
CID 24803742
1-(3,5-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60862129
5-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-2-(4-chlorophenyl)-4H-pyrrolo[3,4-c]pyrazol-6-one
CID 46189674
1-(3,4-dichlorophenyl)-N-methylpyrrolidin-3-amine
CID 60860458

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one (CID 66673532) is 2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one is CNC1CCN(c2ccc(N3CCc4cc(-c5ccc(Cl)cc5)sc4C3=O)cn2)C1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
The InChIKey is ZKRFIDLXHFXGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4OS/c1-25-18-9-10-27(14-18)21-7-6-19(13-26-21)28-11-8-16-12-20(30-22(16)23(28)29)15-2-4-17(24)5-3-15/h2-7,12-13,18,25H,8-11,14H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one?
2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one has a molecular weight of 438.98 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[6-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 66673532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).