N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide

C21H29N5O2 — CID 92548855

About N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide

N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide (PubChem CID 92548855) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide
• PubChem CID: 92548855
• Molecular Formula: C21H29N5O2
• Molecular Weight: 383.50 g/mol
• Exact Mass: 383.23
• IUPAC Name: N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide
• SMILES: CC(=O)N1CC[C@@H](c2nn(CCNC(=O)C3CCCCC3)c3ncccc23)C1
• InChI: InChI=1S/C21H29N5O2/c1-15(27)25-12-9-17(14-25)19-18-8-5-10-22-20(18)26(24-19)13-11-23-21(28)16-6-3-2-4-7-16/h5,8,10,16-17H,2-4,6-7,9,11-14H2,1H3,(H,23,28)/t17-/m1/s1
• InChIKey: SYBPXXPNVMGNKT-QGZVFWFLSA-N
• XLogP: 2.46
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.50
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide?

The IUPAC name of N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide (CID 92548855) is N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide.

What is the SMILES notation for N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide?

The canonical SMILES for N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide is CC(=O)N1CC[C@@H](c2nn(CCNC(=O)C3CCCCC3)c3ncccc23)C1.

What is the InChIKey of N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide?

The InChIKey is SYBPXXPNVMGNKT-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-15(27)25-12-9-17(14-25)19-18-8-5-10-22-20(18)26(24-19)13-11-23-21(28)16-6-3-2-4-7-16/h5,8,10,16-17H,2-4,6-7,9,11-14H2,1H3,(H,23,28)/t17-/m1/s1.

What are the key properties of N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide?

N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-[(3R)-1-acetylpyrrolidin-3-yl]pyrazolo[3,4-b]pyridin-1-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 92548855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).