(4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C20H19FN4O — CID 136697980

About (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

(4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 136697980) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

• Compound Name: (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• PubChem CID: 136697980
• Molecular Formula: C20H19FN4O
• Molecular Weight: 350.40 g/mol
• Exact Mass: 350.15
• IUPAC Name: (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
• SMILES: Cc1cccc(Cn2nc(C)c3c2NC(=O)C[C@@H]3c2ccncc2F)c1
• InChI: InChI=1S/C20H19FN4O/c1-12-4-3-5-14(8-12)11-25-20-19(13(2)24-25)16(9-18(26)23-20)15-6-7-22-10-17(15)21/h3-8,10,16H,9,11H2,1-2H3,(H,23,26)/t16-/m1/s1
• InChIKey: DXHWZJRHLOQAIS-MRXNPFEDSA-N
• XLogP: 3.56
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.40
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The IUPAC name of (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 136697980) is (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

What is the SMILES notation for (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The canonical SMILES for (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is Cc1cccc(Cn2nc(C)c3c2NC(=O)C[C@@H]3c2ccncc2F)c1.

What is the InChIKey of (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

The InChIKey is DXHWZJRHLOQAIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-12-4-3-5-14(8-12)11-25-20-19(13(2)24-25)16(9-18(26)23-20)15-6-7-22-10-17(15)21/h3-8,10,16H,9,11H2,1-2H3,(H,23,26)/t16-/m1/s1.

What are the key properties of (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?

(4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 350.40 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(3-fluoro-4-pyridinyl)-3-methyl-1-[(3-methylphenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 136697980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).