6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H24F3N5O2 — CID 163977333

About 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 163977333) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 163977333
• Molecular Formula: C21H24F3N5O2
• Molecular Weight: 435.45 g/mol
• Exact Mass: 435.19
• IUPAC Name: 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CC1=CC(C(F)(F)F)=C(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)C(O)N1
• InChI: InChI=1S/C21H24F3N5O2/c1-10(2)29-18-14(9-26-29)13(7-17(28-18)12-4-5-12)19(30)25-8-15-16(21(22,23)24)6-11(3)27-20(15)31/h6-7,9-10,12,20,27,31H,4-5,8H2,1-3H3,(H,25,30)
• InChIKey: SVHVGNOWYMYBTG-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 92.07 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.45
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 163977333) is 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is CC1=CC(C(F)(F)F)=C(CNC(=O)c2cc(C3CC3)nc3c2cnn3C(C)C)C(O)N1.

What is the InChIKey of 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is SVHVGNOWYMYBTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-10(2)29-18-14(9-26-29)13(7-17(28-18)12-4-5-12)19(30)25-8-15-16(21(22,23)24)6-11(3)27-20(15)31/h6-7,9-10,12,20,27,31H,4-5,8H2,1-3H3,(H,25,30).

What are the key properties of 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 3.30, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[[2-hydroxy-6-methyl-4-(trifluoromethyl)-1,2-dihydropyridin-3-yl]methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 163977333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).