4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

C25H33N5O2 — CID 69247796

About 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide

4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 69247796) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
• PubChem CID: 69247796
• Molecular Formula: C25H33N5O2
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.26
• IUPAC Name: 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide
• SMILES: CCOc1ccc(C(C)NC(=O)c2cnc3c(cnn3CC)c2NC2CCCCC2)cc1
• InChI: InChI=1S/C25H33N5O2/c1-4-30-24-21(16-27-30)23(29-19-9-7-6-8-10-19)22(15-26-24)25(31)28-17(3)18-11-13-20(14-12-18)32-5-2/h11-17,19H,4-10H2,1-3H3,(H,26,29)(H,28,31)
• InChIKey: OEBKGNNVGAMUKH-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 81.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?

The IUPAC name of 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 69247796) is 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide.

What is the SMILES notation for 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?

The canonical SMILES for 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is CCOc1ccc(C(C)NC(=O)c2cnc3c(cnn3CC)c2NC2CCCCC2)cc1.

What is the InChIKey of 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?

The InChIKey is OEBKGNNVGAMUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-4-30-24-21(16-27-30)23(29-19-9-7-6-8-10-19)22(15-26-24)25(31)28-17(3)18-11-13-20(14-12-18)32-5-2/h11-17,19H,4-10H2,1-3H3,(H,26,29)(H,28,31).

What are the key properties of 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide?

4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 435.57 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(cyclohexylamino)-N-[1-(4-ethoxyphenyl)ethyl]-1-ethylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 69247796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).