3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

C22H27F2N5O3 — CID 162359031

About 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide

3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 162359031) has the molecular formula C22H27F2N5O3 and a molecular weight of 447.49 g/mol. Its IUPAC name is 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
• PubChem CID: 162359031
• Molecular Formula: C22H27F2N5O3
• Molecular Weight: 447.49 g/mol
• Exact Mass: 447.21
• IUPAC Name: 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
• SMILES: CC(C)[C@H](NC(=O)c1cnc2c(-c3cncc(OC(F)F)c3)nn(C(C)C)c2c1)[C@H](C)O
• InChI: InChI=1S/C22H27F2N5O3/c1-11(2)18(13(5)30)27-21(31)15-7-17-20(26-9-15)19(28-29(17)12(3)4)14-6-16(10-25-8-14)32-22(23)24/h6-13,18,22,30H,1-5H3,(H,27,31)/t13-,18-/m0/s1
• InChIKey: NBKQKGDZGFMZIV-UGSOOPFHSA-N
• XLogP: 3.81
• TPSA: 102.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.49
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

The IUPAC name of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide (CID 162359031) is 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide.

What is the SMILES notation for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

The canonical SMILES for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is CC(C)[C@H](NC(=O)c1cnc2c(-c3cncc(OC(F)F)c3)nn(C(C)C)c2c1)[C@H](C)O.

What is the InChIKey of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

The InChIKey is NBKQKGDZGFMZIV-UGSOOPFHSA-N. The full InChI is InChI=1S/C22H27F2N5O3/c1-11(2)18(13(5)30)27-21(31)15-7-17-20(26-9-15)19(28-29(17)12(3)4)14-6-16(10-25-8-14)32-22(23)24/h6-13,18,22,30H,1-5H3,(H,27,31)/t13-,18-/m0/s1.

What are the key properties of 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide?

3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 447.49 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(difluoromethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 162359031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).