N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

C26H35FN6O — CID 163972009

About N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine

N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 163972009) has the molecular formula C26H35FN6O and a molecular weight of 466.61 g/mol. Its IUPAC name is N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 163972009
• Molecular Formula: C26H35FN6O
• Molecular Weight: 466.61 g/mol
• Exact Mass: 466.29
• IUPAC Name: N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CCNc1cc2c(cn1)c(N1CC[C@@H](CC)C1)nn2C1CCC(Oc2nccc(C)c2F)CC1
• InChI: InChI=1S/C26H35FN6O/c1-4-18-11-13-32(16-18)25-21-15-30-23(28-5-2)14-22(21)33(31-25)19-6-8-20(9-7-19)34-26-24(27)17(3)10-12-29-26/h10,12,14-15,18-20H,4-9,11,13,16H2,1-3H3,(H,28,30)/t18-,19?,20?/m1/s1
• InChIKey: IUXMVZRZZKTIMJ-XEVCZEQESA-N
• XLogP: 5.50
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.61
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?

The IUPAC name of N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine (CID 163972009) is N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine.

What is the SMILES notation for N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?

The canonical SMILES for N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(N1CC[C@@H](CC)C1)nn2C1CCC(Oc2nccc(C)c2F)CC1.

What is the InChIKey of N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?

The InChIKey is IUXMVZRZZKTIMJ-XEVCZEQESA-N. The full InChI is InChI=1S/C26H35FN6O/c1-4-18-11-13-32(16-18)25-21-15-30-23(28-5-2)14-22(21)33(31-25)19-6-8-20(9-7-19)34-26-24(27)17(3)10-12-29-26/h10,12,14-15,18-20H,4-9,11,13,16H2,1-3H3,(H,28,30)/t18-,19?,20?/m1/s1.

What are the key properties of N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine?

N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 466.61 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-3-[(3R)-3-ethylpyrrolidin-1-yl]-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 163972009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).