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

C23H25ClN6O — CID 138715233

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

1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (PubChem CID 138715233) has the molecular formula C23H25ClN6O and a molecular weight of 436.95 g/mol. Its IUPAC name is 1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

Molecular Properties

• Compound Name: 1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
• PubChem CID: 138715233
• Molecular Formula: C23H25ClN6O
• Molecular Weight: 436.95 g/mol
• Exact Mass: 436.18
• IUPAC Name: 1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine
• SMILES: CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(Cl)c2)CC1
• InChI: InChI=1S/C23H25ClN6O/c1-25-22-11-21-20(13-26-22)23(15-12-27-29(2)14-15)28-30(21)17-6-8-18(9-7-17)31-19-5-3-4-16(24)10-19/h3-5,10-14,17-18H,6-9H2,1-2H3,(H,25,26)
• InChIKey: ATCQWAIUVAMYOI-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 69.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.95
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine (CID 138715233) is 1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine.

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

The canonical SMILES for 1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is CNc1cc2c(cn1)c(-c1cnn(C)c1)nn2C1CCC(Oc2cccc(Cl)c2)CC1.

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

The InChIKey is ATCQWAIUVAMYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN6O/c1-25-22-11-21-20(13-26-22)23(15-12-27-29(2)14-15)28-30(21)17-6-8-18(9-7-17)31-19-5-3-4-16(24)10-19/h3-5,10-14,17-18H,6-9H2,1-2H3,(H,25,26).

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

1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine has a molecular weight of 436.95 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-chlorophenoxy)cyclohexyl]-N-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-6-amine is sourced from PubChem (CID 138715233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).