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

C19H21N5OS — CID 172892419

IUPAC6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methanone
SMILESCc1cc(N2CC(C(=O)N3CCc4sccc4C3)C2)n2nc(C)cc2n1
InChIInChI=1S/C19H21N5OS/c1-12-8-18(24-17(20-12)7-13(2)21-24)23-10-15(11-23)19(25)22-5-3-16-14(9-22)4-6-26-16/h4,6-8,15H,3,5,9-11H2,1-2H3
InChIKeyYTPKFMBRPMEIQV-UHFFFAOYSA-N
MW367.48 g/mol
LogP2.43
Rot. Bonds2

About 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

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 (PubChem CID 172892419) has the molecular formula C19H21N5OS and a molecular weight of 367.48 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methanone
PubChem CID172892419
Molecular FormulaC19H21N5OS
Molecular Weight367.48 g/mol
Exact Mass367.15
IUPAC Name6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methanone
SMILESCc1cc(N2CC(C(=O)N3CCc4sccc4C3)C2)n2nc(C)cc2n1
InChIInChI=1S/C19H21N5OS/c1-12-8-18(24-17(20-12)7-13(2)21-24)23-10-15(11-23)19(25)22-5-3-16-14(9-22)4-6-26-16/h4,6-8,15H,3,5,9-11H2,1-2H3
InChIKeyYTPKFMBRPMEIQV-UHFFFAOYSA-N
XLogP2.43
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.48
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 165432476
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-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone
CID 172892577
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]methanone
CID 34989712
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)morpholin-4-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 172881275
[4-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)morpholin-2-yl]-piperidin-1-ylmethanone
CID 163343507
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 56812849
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(pyrrolidin-3-yl)methanone;hydrochloride
CID 119700115
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
(3S)-1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-ol
CID 164640132

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(N2CC(C(=O)N3CCc4sccc4C3)C2)n2nc(C)cc2n1.
What is the InChIKey of 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?
The InChIKey is YTPKFMBRPMEIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5OS/c1-12-8-18(24-17(20-12)7-13(2)21-24)23-10-15(11-23)19(25)22-5-3-16-14(9-22)4-6-26-16/h4,6-8,15H,3,5,9-11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 367.48 g/mol, XLogP of 2.43, 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-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methanone is sourced from PubChem (CID 172892419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).