1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C19H16ClN3O2S — CID 135756434

About 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135756434) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 135756434
• Molecular Formula: C19H16ClN3O2S
• Molecular Weight: 385.88 g/mol
• Exact Mass: 385.07
• IUPAC Name: 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: Cc1nn(-c2cccc(Cl)c2C)c2c1C(C(=O)c1cccs1)CC(=O)N2
• InChI: InChI=1S/C19H16ClN3O2S/c1-10-13(20)5-3-6-14(10)23-19-17(11(2)22-23)12(9-16(24)21-19)18(25)15-7-4-8-26-15/h3-8,12H,9H2,1-2H3,(H,21,24)
• InChIKey: RCFLAHVMDLMFCK-UHFFFAOYSA-N
• XLogP: 4.51
• TPSA: 63.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.88
LogP ≤ 5	4.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135756434) is 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2cccc(Cl)c2C)c2c1C(C(=O)c1cccs1)CC(=O)N2.

What is the InChIKey of 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is RCFLAHVMDLMFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c1-10-13(20)5-3-6-14(10)23-19-17(11(2)22-23)12(9-16(24)21-19)18(25)15-7-4-8-26-15/h3-8,12H,9H2,1-2H3,(H,21,24).

What are the key properties of 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 385.88 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-chloro-2-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135756434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).