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

C31H44FN7O — CID 163705866

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

N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 163705866) has the molecular formula C31H44FN7O and a molecular weight of 549.74 g/mol. Its IUPAC name is N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 163705866
• Molecular Formula: C31H44FN7O
• Molecular Weight: 549.74 g/mol
• Exact Mass: 549.36
• IUPAC Name: N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CCNc1cc2c(cn1)c(C1CCN(C3CCN(C)CC3)CC1)nn2C1CCC(Oc2nccc(C)c2F)CC1
• InChI: InChI=1S/C31H44FN7O/c1-4-33-28-19-27-26(20-35-28)30(22-10-17-38(18-11-22)23-12-15-37(3)16-13-23)36-39(27)24-5-7-25(8-6-24)40-31-29(32)21(2)9-14-34-31/h9,14,19-20,22-25H,4-8,10-13,15-18H2,1-3H3,(H,33,35)
• InChIKey: MMJFTUFUQCZJPW-UHFFFAOYSA-N
• XLogP: 5.54
• TPSA: 71.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.74
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine (CID 163705866) is N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine.

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

The canonical SMILES for N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine is CCNc1cc2c(cn1)c(C1CCN(C3CCN(C)CC3)CC1)nn2C1CCC(Oc2nccc(C)c2F)CC1.

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

The InChIKey is MMJFTUFUQCZJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44FN7O/c1-4-33-28-19-27-26(20-35-28)30(22-10-17-38(18-11-22)23-12-15-37(3)16-13-23)36-39(27)24-5-7-25(8-6-24)40-31-29(32)21(2)9-14-34-31/h9,14,19-20,22-25H,4-8,10-13,15-18H2,1-3H3,(H,33,35).

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

N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 549.74 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-1-[4-[(3-fluoro-4-methyl-2-pyridinyl)oxy]cyclohexyl]-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 163705866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).