N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide

C26H31N5O2 — CID 124970782

About N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide

N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide (PubChem CID 124970782) has the molecular formula C26H31N5O2 and a molecular weight of 445.57 g/mol. Its IUPAC name is N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
• PubChem CID: 124970782
• Molecular Formula: C26H31N5O2
• Molecular Weight: 445.57 g/mol
• Exact Mass: 445.25
• IUPAC Name: N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide
• SMILES: Cc1ccc(CC(=O)N2CCC[C@H](c3nn(CCNC(=O)C4CC4)c4ncccc34)C2)cc1
• InChI: InChI=1S/C26H31N5O2/c1-18-6-8-19(9-7-18)16-23(32)30-14-3-4-21(17-30)24-22-5-2-12-27-25(22)31(29-24)15-13-28-26(33)20-10-11-20/h2,5-9,12,20-21H,3-4,10-11,13-17H2,1H3,(H,28,33)/t21-/m0/s1
• InChIKey: JSLPHAKXNZGVFD-NRFANRHFSA-N
• XLogP: 3.21
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.57
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

The IUPAC name of N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide (CID 124970782) is N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

The canonical SMILES for N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide is Cc1ccc(CC(=O)N2CCC[C@H](c3nn(CCNC(=O)C4CC4)c4ncccc34)C2)cc1.

What is the InChIKey of N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

The InChIKey is JSLPHAKXNZGVFD-NRFANRHFSA-N. The full InChI is InChI=1S/C26H31N5O2/c1-18-6-8-19(9-7-18)16-23(32)30-14-3-4-21(17-30)24-22-5-2-12-27-25(22)31(29-24)15-13-28-26(33)20-10-11-20/h2,5-9,12,20-21H,3-4,10-11,13-17H2,1H3,(H,28,33)/t21-/m0/s1.

What are the key properties of N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide?

N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide has a molecular weight of 445.57 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3S)-1-[2-(4-methylphenyl)acetyl]piperidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 124970782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).