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

C19H17N5OS2 — CID 41157463

IUPAC(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)nc2n1
InChIInChI=1S/C19H17N5OS2/c1-11-10-12(2)24-19(20-11)21-17(22-24)18(25)23-7-5-14-13(6-9-27-14)16(23)15-4-3-8-26-15/h3-4,6,8-10,16H,5,7H2,1-2H3/t16-/m1/s1
InChIKeyZFWVFVHNUULHIB-MRXNPFEDSA-N
MW395.51 g/mol
LogP3.65
Rot. Bonds2

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

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (PubChem CID 41157463) has the molecular formula C19H17N5OS2 and a molecular weight of 395.51 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
PubChem CID41157463
Molecular FormulaC19H17N5OS2
Molecular Weight395.51 g/mol
Exact Mass395.09
IUPAC Name(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
SMILESCc1cc(C)n2nc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)nc2n1
InChIInChI=1S/C19H17N5OS2/c1-11-10-12(2)24-19(20-11)21-17(22-24)18(25)23-7-5-14-13(6-9-27-14)16(23)15-4-3-8-26-15/h3-4,6,8-10,16H,5,7H2,1-2H3/t16-/m1/s1
InChIKeyZFWVFVHNUULHIB-MRXNPFEDSA-N
XLogP3.65
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

(4-methylphenyl)-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074460
(3,5-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9075024
[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 41170098
(2,3-dichlorophenyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 16576996
methyl 4-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]benzoate
CID 9075048
(3,4-difluorophenyl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 9074636
(5-bromo-3-pyridinyl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 18125753
1-[5-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 9075582
2,3-dihydro-1,4-dioxin-5-yl-[(4S)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone
CID 124606633
(1-phenylpyrazol-3-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55668318
(2-phenyl-1,3-thiazol-4-yl)-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 55440089
3-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-1-(4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 16577042

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone (CID 41157463) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone.
What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is Cc1cc(C)n2nc(C(=O)N3CCc4sccc4[C@@H]3c3cccs3)nc2n1.
What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
The InChIKey is ZFWVFVHNUULHIB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17N5OS2/c1-11-10-12(2)24-19(20-11)21-17(22-24)18(25)23-7-5-14-13(6-9-27-14)16(23)15-4-3-8-26-15/h3-4,6,8-10,16H,5,7H2,1-2H3/t16-/m1/s1.
What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone?
(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone has a molecular weight of 395.51 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(4R)-4-thiophen-2-yl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]methanone is sourced from PubChem (CID 41157463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).