1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one

C16H22N4OS — CID 56816883

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
SMILESCN(CCC(=O)N1CCc2sccc2C1)Cc1cnn(C)c1
InChIInChI=1S/C16H22N4OS/c1-18(10-13-9-17-19(2)11-13)6-4-16(21)20-7-3-15-14(12-20)5-8-22-15/h5,8-9,11H,3-4,6-7,10,12H2,1-2H3
InChIKeyPKLIIKMSYOAGPD-UHFFFAOYSA-N
MW318.45 g/mol
LogP1.89
Rot. Bonds5

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one (PubChem CID 56816883) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
PubChem CID56816883
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
SMILESCN(CCC(=O)N1CCc2sccc2C1)Cc1cnn(C)c1
InChIInChI=1S/C16H22N4OS/c1-18(10-13-9-17-19(2)11-13)6-4-16(21)20-7-3-15-14(12-20)5-8-22-15/h5,8-9,11H,3-4,6-7,10,12H2,1-2H3
InChIKeyPKLIIKMSYOAGPD-UHFFFAOYSA-N
XLogP1.89
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one (CID 56816883) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one is CN(CCC(=O)N1CCc2sccc2C1)Cc1cnn(C)c1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one?
The InChIKey is PKLIIKMSYOAGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-18(10-13-9-17-19(2)11-13)6-4-16(21)20-7-3-15-14(12-20)5-8-22-15/h5,8-9,11H,3-4,6-7,10,12H2,1-2H3.
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one has a molecular weight of 318.45 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one is sourced from PubChem (CID 56816883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).