cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

C16H20N4O3 — CID 120677416

About cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120677416) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
• PubChem CID: 120677416
• Molecular Formula: C16H20N4O3
• Molecular Weight: 316.36 g/mol
• Exact Mass: 316.15
• IUPAC Name: cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid
• SMILES: CC(C)n1ncc2cc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)cnc21
• InChI: InChI=1S/C16H20N4O3/c1-9(2)20-14-11(8-18-20)5-12(7-17-14)15(21)19-13-4-3-10(6-13)16(22)23/h5,7-10,13H,3-4,6H2,1-2H3,(H,19,21)(H,22,23)/t10-,13+/m1/s1
• InChIKey: DONRSSBUDZDKAH-MFKMUULPSA-N
• XLogP: 2.00
• TPSA: 97.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.36
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120677416) is cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is CC(C)n1ncc2cc(C(=O)N[C@H]3CC[C@@H](C(=O)O)C3)cnc21.

What is the InChIKey of cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

The InChIKey is DONRSSBUDZDKAH-MFKMUULPSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-9(2)20-14-11(8-18-20)5-12(7-17-14)15(21)19-13-4-3-10(6-13)16(22)23/h5,7-10,13H,3-4,6H2,1-2H3,(H,19,21)(H,22,23)/t10-,13+/m1/s1.

What are the key properties of cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid?

cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,3S)-3-[(1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120677416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).