1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

C22H23FN6O — CID 142603808

About 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 142603808) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 142603808
• Molecular Formula: C22H23FN6O
• Molecular Weight: 406.47 g/mol
• Exact Mass: 406.19
• IUPAC Name: 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
• SMILES: Cn1cc(-c2nn(C3CCC(Oc4ccc(F)cc4)CC3)c3cc(N)ncc23)cn1
• InChI: InChI=1S/C22H23FN6O/c1-28-13-14(11-26-28)22-19-12-25-21(24)10-20(19)29(27-22)16-4-8-18(9-5-16)30-17-6-2-15(23)3-7-17/h2-3,6-7,10-13,16,18H,4-5,8-9H2,1H3,(H2,24,25)
• InChIKey: HTIBKATVIKNTEZ-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 83.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.47
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?

The IUPAC name of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 142603808) is 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

What is the SMILES notation for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?

The canonical SMILES for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is Cn1cc(-c2nn(C3CCC(Oc4ccc(F)cc4)CC3)c3cc(N)ncc23)cn1.

What is the InChIKey of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?

The InChIKey is HTIBKATVIKNTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-28-13-14(11-26-28)22-19-12-25-21(24)10-20(19)29(27-22)16-4-8-18(9-5-16)30-17-6-2-15(23)3-7-17/h2-3,6-7,10-13,16,18H,4-5,8-9H2,1H3,(H2,24,25).

What are the key properties of 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine?

1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 406.47 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(4-fluorophenoxy)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 142603808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).