N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

C19H18F2N6O2 — CID 90118962

About N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide

N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (PubChem CID 90118962) has the molecular formula C19H18F2N6O2 and a molecular weight of 400.39 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• PubChem CID: 90118962
• Molecular Formula: C19H18F2N6O2
• Molecular Weight: 400.39 g/mol
• Exact Mass: 400.15
• IUPAC Name: N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
• SMILES: Cc1cc(Cn2cc3c(C(=O)NCCC#N)nccc3n2)cnc1OCC(F)F
• InChI: InChI=1S/C19H18F2N6O2/c1-12-7-13(8-25-19(12)29-11-16(20)21)9-27-10-14-15(26-27)3-6-23-17(14)18(28)24-5-2-4-22/h3,6-8,10,16H,2,5,9,11H2,1H3,(H,24,28)
• InChIKey: MSXRNBMRULOLEN-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 105.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.39
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide (CID 90118962) is N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide.

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

The canonical SMILES for N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is Cc1cc(Cn2cc3c(C(=O)NCCC#N)nccc3n2)cnc1OCC(F)F.

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

The InChIKey is MSXRNBMRULOLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O2/c1-12-7-13(8-25-19(12)29-11-16(20)21)9-27-10-14-15(26-27)3-6-23-17(14)18(28)24-5-2-4-22/h3,6-8,10,16H,2,5,9,11H2,1H3,(H,24,28).

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

N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide has a molecular weight of 400.39 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-cyanoethyl)-2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 90118962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).