6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone

C20H24N6OS — CID 171997323

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone
SMILESCc1nc2ncnn2c(N2CCC(C(=O)N3CCc4sccc4C3)CC2)c1C
InChIInChI=1S/C20H24N6OS/c1-13-14(2)23-20-21-12-22-26(20)18(13)24-7-3-15(4-8-24)19(27)25-9-5-17-16(11-25)6-10-28-17/h6,10,12,15H,3-5,7-9,11H2,1-2H3
InChIKeyOIDIAZJAJRUIRK-UHFFFAOYSA-N
MW396.52 g/mol
LogP2.60
Rot. Bonds2

About 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone (PubChem CID 171997323) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone
PubChem CID171997323
Molecular FormulaC20H24N6OS
Molecular Weight396.52 g/mol
Exact Mass396.17
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone
SMILESCc1nc2ncnn2c(N2CCC(C(=O)N3CCc4sccc4C3)CC2)c1C
InChIInChI=1S/C20H24N6OS/c1-13-14(2)23-20-21-12-22-26(20)18(13)24-7-3-15(4-8-24)19(27)25-9-5-17-16(11-25)6-10-28-17/h6,10,12,15H,3-5,7-9,11H2,1-2H3
InChIKeyOIDIAZJAJRUIRK-UHFFFAOYSA-N
XLogP2.60
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.52
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone with MolForge

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Related Compounds

6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]methanone
CID 171993308
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
[(3S)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346410
[(3R)-1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 95346412
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 171993747
5,6-dimethyl-7-piperidin-1-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 53017023
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-(2,3,5,6-tetramethylphenyl)sulfonylpiperidin-4-yl]methanone
CID 17478504
3-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 171993509
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-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methanone
CID 172892419
4-(azepane-1-carbonyl)-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-oxoethyl]piperidine-1-carboxamide
CID 86882077

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone?
The IUPAC name of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone (CID 171997323) is 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone.
What is the SMILES notation for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone?
The canonical SMILES for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone is Cc1nc2ncnn2c(N2CCC(C(=O)N3CCc4sccc4C3)CC2)c1C.
What is the InChIKey of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone?
The InChIKey is OIDIAZJAJRUIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-13-14(2)23-20-21-12-22-26(20)18(13)24-7-3-15(4-8-24)19(27)25-9-5-17-16(11-25)6-10-28-17/h6,10,12,15H,3-5,7-9,11H2,1-2H3.
What are the key properties of 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone?
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone has a molecular weight of 396.52 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 171997323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).