N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

C24H30N4O3 — CID 95777471

About N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 95777471) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
• PubChem CID: 95777471
• Molecular Formula: C24H30N4O3
• Molecular Weight: 422.53 g/mol
• Exact Mass: 422.23
• IUPAC Name: N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
• SMILES: CCOc1ccccc1O[C@H]1CCC[C@H]1NC(=O)c1cc(C)nc2c1cnn2C(C)C
• InChI: InChI=1S/C24H30N4O3/c1-5-30-21-10-6-7-11-22(21)31-20-12-8-9-19(20)27-24(29)17-13-16(4)26-23-18(17)14-25-28(23)15(2)3/h6-7,10-11,13-15,19-20H,5,8-9,12H2,1-4H3,(H,27,29)/t19-,20+/m1/s1
• InChIKey: RATCWIKQUNNSPJ-UXHICEINSA-N
• XLogP: 4.45
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.53
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

The IUPAC name of N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 95777471) is N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is CCOc1ccccc1O[C@H]1CCC[C@H]1NC(=O)c1cc(C)nc2c1cnn2C(C)C.

What is the InChIKey of N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

The InChIKey is RATCWIKQUNNSPJ-UXHICEINSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-5-30-21-10-6-7-11-22(21)31-20-12-8-9-19(20)27-24(29)17-13-16(4)26-23-18(17)14-25-28(23)15(2)3/h6-7,10-11,13-15,19-20H,5,8-9,12H2,1-4H3,(H,27,29)/t19-,20+/m1/s1.

What are the key properties of N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide?

N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 422.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-(2-ethoxyphenoxy)cyclopentyl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 95777471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).