5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

C23H26FN5O — CID 155376178

About 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine

5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (PubChem CID 155376178) has the molecular formula C23H26FN5O and a molecular weight of 407.49 g/mol. Its IUPAC name is 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
• PubChem CID: 155376178
• Molecular Formula: C23H26FN5O
• Molecular Weight: 407.49 g/mol
• Exact Mass: 407.21
• IUPAC Name: 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
• SMILES: COc1ccc(CNc2cc(C3=CC=CNC3F)nc3c(C)nn(C(C)C)c23)cc1
• InChI: InChI=1S/C23H26FN5O/c1-14(2)29-22-20(26-13-16-7-9-17(30-4)10-8-16)12-19(27-21(22)15(3)28-29)18-6-5-11-25-23(18)24/h5-12,14,23,25H,13H2,1-4H3,(H,26,27)
• InChIKey: YFYPMTDDCQMTPX-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 64.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.49
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?

The IUPAC name of 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine (CID 155376178) is 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?

The canonical SMILES for 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is COc1ccc(CNc2cc(C3=CC=CNC3F)nc3c(C)nn(C(C)C)c23)cc1.

What is the InChIKey of 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?

The InChIKey is YFYPMTDDCQMTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O/c1-14(2)29-22-20(26-13-16-7-9-17(30-4)10-8-16)12-19(27-21(22)15(3)28-29)18-6-5-11-25-23(18)24/h5-12,14,23,25H,13H2,1-4H3,(H,26,27).

What are the key properties of 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine?

5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine has a molecular weight of 407.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluoro-1,2-dihydropyridin-3-yl)-N-[(4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 155376178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).