N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C20H21F4N5O3 — CID 90118615

About N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118615) has the molecular formula C20H21F4N5O3 and a molecular weight of 455.41 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 90118615
• Molecular Formula: C20H21F4N5O3
• Molecular Weight: 455.41 g/mol
• Exact Mass: 455.16
• IUPAC Name: N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: Cc1cc(Cn2cc3c(C(=O)NC(C)CO)nccc3n2)cnc1OCC(F)(F)C(F)F
• InChI: InChI=1S/C20H21F4N5O3/c1-11-5-13(6-26-18(11)32-10-20(23,24)19(21)22)7-29-8-14-15(28-29)3-4-25-16(14)17(31)27-12(2)9-30/h3-6,8,12,19,30H,7,9-10H2,1-2H3,(H,27,31)
• InChIKey: VXVYFJSOZKBUGD-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 102.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.41
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The IUPAC name of N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118615) is N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The canonical SMILES for N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cc(Cn2cc3c(C(=O)NC(C)CO)nccc3n2)cnc1OCC(F)(F)C(F)F.

What is the InChIKey of N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

The InChIKey is VXVYFJSOZKBUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N5O3/c1-11-5-13(6-26-18(11)32-10-20(23,24)19(21)22)7-29-8-14-15(28-29)3-4-25-16(14)17(31)27-12(2)9-30/h3-6,8,12,19,30H,7,9-10H2,1-2H3,(H,27,31).

What are the key properties of N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide?

N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 455.41 g/mol, XLogP of 2.57, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-hydroxypropan-2-yl)-2-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).