2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

C16H22ClN5O2S — CID 45284095

About 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride

2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (PubChem CID 45284095) has the molecular formula C16H22ClN5O2S and a molecular weight of 383.91 g/mol. Its IUPAC name is 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
• PubChem CID: 45284095
• Molecular Formula: C16H22ClN5O2S
• Molecular Weight: 383.91 g/mol
• Exact Mass: 383.12
• IUPAC Name: 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride
• SMILES: CCCN1CCc2c(sc(NC(=O)c3ccn(C)n3)c2C(N)=O)C1.Cl
• InChI: InChI=1S/C16H21N5O2S.ClH/c1-3-6-21-8-4-10-12(9-21)24-16(13(10)14(17)22)18-15(23)11-5-7-20(2)19-11;/h5,7H,3-4,6,8-9H2,1-2H3,(H2,17,22)(H,18,23);1H
• InChIKey: CLDKLPLMEFWRJP-UHFFFAOYSA-N
• XLogP: 2.02
• TPSA: 93.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.91
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?

The IUPAC name of 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride (CID 45284095) is 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride.

What is the SMILES notation for 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?

The canonical SMILES for 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is CCCN1CCc2c(sc(NC(=O)c3ccn(C)n3)c2C(N)=O)C1.Cl.

What is the InChIKey of 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?

The InChIKey is CLDKLPLMEFWRJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S.ClH/c1-3-6-21-8-4-10-12(9-21)24-16(13(10)14(17)22)18-15(23)11-5-7-20(2)19-11;/h5,7H,3-4,6,8-9H2,1-2H3,(H2,17,22)(H,18,23);1H.

What are the key properties of 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride?

2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride has a molecular weight of 383.91 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-methylpyrazole-3-carbonyl)amino]-6-propyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 45284095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).