2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one

C25H24ClN5OS — CID 170429062

IUPAC2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2cc3nccc(-c4cc(Cl)cc5c4N(C4CNC4)CCC5)c3s2)c(=O)c1
InChIInChI=1S/C25H24ClN5OS/c1-15-7-23(32)31(29-11-15)14-19-10-22-25(33-19)20(4-5-28-22)21-9-17(26)8-16-3-2-6-30(24(16)21)18-12-27-13-18/h4-5,7-11,18,27H,2-3,6,12-14H2,1H3
InChIKeyCBMPUGICEFWKOB-UHFFFAOYSA-N
MW478.02 g/mol
LogP4.25
Rot. Bonds4

About 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one

2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one (PubChem CID 170429062) has the molecular formula C25H24ClN5OS and a molecular weight of 478.02 g/mol. Its IUPAC name is 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one
PubChem CID170429062
Molecular FormulaC25H24ClN5OS
Molecular Weight478.02 g/mol
Exact Mass477.14
IUPAC Name2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one
SMILESCc1cnn(Cc2cc3nccc(-c4cc(Cl)cc5c4N(C4CNC4)CCC5)c3s2)c(=O)c1
InChIInChI=1S/C25H24ClN5OS/c1-15-7-23(32)31(29-11-15)14-19-10-22-25(33-19)20(4-5-28-22)21-9-17(26)8-16-3-2-6-30(24(16)21)18-12-27-13-18/h4-5,7-11,18,27H,2-3,6,12-14H2,1H3
InChIKeyCBMPUGICEFWKOB-UHFFFAOYSA-N
XLogP4.25
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.02
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one with MolForge

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Related Compounds

3-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-(2,2-difluoroethyl)pyrimidine-2,4-dione
CID 170429123
1-[[7-[6-chloro-1-(5,5-dimethylpyrrolidin-3-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 170429102
2-[[7-[7-chloro-4-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]-2,3-dihydro-1,4-benzoxazin-5-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one
CID 164871304
3-[[7-[6-chloro-1-[(3S)-pyrrolidin-3-yl]-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione
CID 170428943
1-[[7-[6-chloro-1-(4-fluoropyrrolidin-3-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 170429186
1-[[7-[1-[(4S)-azepan-4-yl]-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione
CID 164871518
3-[[7-[6-chloro-1-[(3S)-pyrrolidin-3-yl]-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-1-methylpyrimidine-2,4-dione;formic acid
CID 175805767
1-[[7-[6-chloro-1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;hydrochloride
CID 175805706
3-[[7-(6-chloro-1-pyrrolidin-3-yl-3,4-dihydro-2H-quinolin-8-yl)thieno[3,2-b]pyridin-2-yl]methyl]-1-[2-(difluoromethoxy)ethyl]pyrimidine-2,4-dione
CID 170429081
[4-[6-chloro-8-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]thieno[3,2-b]pyridin-7-yl]-3,4-dihydro-2H-quinolin-1-yl]pyrrolidin-3-yl]oxy formate
CID 164871498
3-[[7-[6-chloro-1-[(3S,5R)-5-(hydroxymethyl)pyrrolidin-3-yl]-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-3-azabicyclo[3.1.0]hexane-2,4-dione;formic acid
CID 175805543
1-[[7-[6-chloro-1-[(3S)-1-methylpyrrolidin-3-yl]-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]pyrrolidine-2,5-dione;formic acid
CID 175805694

Frequently Asked Questions

What is the IUPAC name of 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one (CID 170429062) is 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one is Cc1cnn(Cc2cc3nccc(-c4cc(Cl)cc5c4N(C4CNC4)CCC5)c3s2)c(=O)c1.
What is the InChIKey of 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one?
The InChIKey is CBMPUGICEFWKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5OS/c1-15-7-23(32)31(29-11-15)14-19-10-22-25(33-19)20(4-5-28-22)21-9-17(26)8-16-3-2-6-30(24(16)21)18-12-27-13-18/h4-5,7-11,18,27H,2-3,6,12-14H2,1H3.
What are the key properties of 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one?
2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one has a molecular weight of 478.02 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[1-(azetidin-3-yl)-6-chloro-3,4-dihydro-2H-quinolin-8-yl]thieno[3,2-b]pyridin-2-yl]methyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 170429062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).