6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone

C18H19N5OS — CID 172892577

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone
SMILESCn1c(N2CC(C(=O)N3CCc4sccc4C3)C2)nc2cccnc21
InChIInChI=1S/C18H19N5OS/c1-21-16-14(3-2-6-19-16)20-18(21)23-10-13(11-23)17(24)22-7-4-15-12(9-22)5-8-25-15/h2-3,5-6,8,13H,4,7,9-11H2,1H3
InChIKeyVGWBLFOFKSDEGJ-UHFFFAOYSA-N
MW353.45 g/mol
LogP2.05
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone (PubChem CID 172892577) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone
PubChem CID172892577
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone
SMILESCn1c(N2CC(C(=O)N3CCc4sccc4C3)C2)nc2cccnc21
InChIInChI=1S/C18H19N5OS/c1-21-16-14(3-2-6-19-16)20-18(21)23-10-13(11-23)17(24)22-7-4-15-12(9-22)5-8-25-15/h2-3,5-6,8,13H,4,7,9-11H2,1H3
InChIKeyVGWBLFOFKSDEGJ-UHFFFAOYSA-N
XLogP2.05
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone with MolForge

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Related Compounds

[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163352856
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 34989712
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358227
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 172899962
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 171993747
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 172892419
(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 155976040
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 171993308
1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154582460
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 171993509
(5S)-5-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-1-(2-pyridin-2-ylethyl)piperidin-2-one
CID 42198640

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone (CID 172892577) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone is Cn1c(N2CC(C(=O)N3CCc4sccc4C3)C2)nc2cccnc21.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone?
The InChIKey is VGWBLFOFKSDEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-21-16-14(3-2-6-19-16)20-18(21)23-10-13(11-23)17(24)22-7-4-15-12(9-22)5-8-25-15/h2-3,5-6,8,13H,4,7,9-11H2,1H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone has a molecular weight of 353.45 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone is sourced from PubChem (CID 172892577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).