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

C25H28Cl2N4OS — CID 24759455

IUPAC2-(4-chlorophenyl)-6-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one;hydrochloride
SMILESCc1cc(N2CCc3cc(-c4ccc(Cl)cc4)sc3C2=O)cnc1N1CC[C@@H](N(C)C)C1.Cl
InChIInChI=1S/C25H27ClN4OS.ClH/c1-16-12-21(14-27-24(16)29-10-9-20(15-29)28(2)3)30-11-8-18-13-22(32-23(18)25(30)31)17-4-6-19(26)7-5-17;/h4-7,12-14,20H,8-11,15H2,1-3H3;1H/t20-;/m1./s1
InChIKeyNWVKDBUFYLXSKP-VEIFNGETSA-N
MW503.50 g/mol
LogP5.54
Rot. Bonds4

About 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

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 (PubChem CID 24759455) has the molecular formula C25H28Cl2N4OS and a molecular weight of 503.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one;hydrochloride
PubChem CID24759455
Molecular FormulaC25H28Cl2N4OS
Molecular Weight503.50 g/mol
Exact Mass502.14
IUPAC Name2-(4-chlorophenyl)-6-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5-methyl-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one;hydrochloride
SMILESCc1cc(N2CCc3cc(-c4ccc(Cl)cc4)sc3C2=O)cnc1N1CC[C@@H](N(C)C)C1.Cl
InChIInChI=1S/C25H27ClN4OS.ClH/c1-16-12-21(14-27-24(16)29-10-9-20(15-29)28(2)3)30-11-8-18-13-22(32-23(18)25(30)31)17-4-6-19(26)7-5-17;/h4-7,12-14,20H,8-11,15H2,1-3H3;1H/t20-;/m1./s1
InChIKeyNWVKDBUFYLXSKP-VEIFNGETSA-N
XLogP5.54
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.50
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

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-[3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 66673532
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-[3-(dimethylamino)pyrrolidin-1-yl]-5-methylpyridine-3-carbaldehyde
CID 80630963
1-[5-(bromomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 107083279
6-(4-chlorophenyl)-2-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]phthalazin-1-one
CID 11640865
6-[4-[(3R)-3-(dimethylamino)butanimidoyl]phenyl]-2-(4-methylphenyl)-4,5-dihydrothieno[2,3-c]pyridin-7-one
CID 174573883
1-[5-(aminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpiperidin-3-amine
CID 80635823
1-[5-(2-aminobutyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrrolidin-3-amine
CID 80634867
6-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]thieno[2,3-d]pyridazin-7-one
CID 73061109

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N2CCc3cc(-c4ccc(Cl)cc4)sc3C2=O)cnc1N1CC[C@@H](N(C)C)C1.Cl.
What is the InChIKey of 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?
The InChIKey is NWVKDBUFYLXSKP-VEIFNGETSA-N. The full InChI is InChI=1S/C25H27ClN4OS.ClH/c1-16-12-21(14-27-24(16)29-10-9-20(15-29)28(2)3)30-11-8-18-13-22(32-23(18)25(30)31)17-4-6-19(26)7-5-17;/h4-7,12-14,20H,8-11,15H2,1-3H3;1H/t20-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 503.50 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 24759455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).