cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C16H20N4O3 — CID 120675632

About cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120675632) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

• Compound Name: cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
• PubChem CID: 120675632
• Molecular Formula: C16H20N4O3
• Molecular Weight: 316.36 g/mol
• Exact Mass: 316.15
• IUPAC Name: cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
• SMILES: Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c2c(C)nn(C)c2n1
• InChI: InChI=1S/C16H20N4O3/c1-8-6-12(13-9(2)19-20(3)14(13)17-8)15(21)18-11-5-4-10(7-11)16(22)23/h6,10-11H,4-5,7H2,1-3H3,(H,18,21)(H,22,23)/t10-,11+/m0/s1
• InChIKey: GFWWEDXDKIQAHH-WDEREUQCSA-N
• XLogP: 1.57
• TPSA: 97.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	316.36
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?

The IUPAC name of cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 120675632) is cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

What is the SMILES notation for cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?

The canonical SMILES for cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)O)C2)c2c(C)nn(C)c2n1.

What is the InChIKey of cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?

The InChIKey is GFWWEDXDKIQAHH-WDEREUQCSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-8-6-12(13-9(2)19-20(3)14(13)17-8)15(21)18-11-5-4-10(7-11)16(22)23/h6,10-11H,4-5,7H2,1-3H3,(H,18,21)(H,22,23)/t10-,11+/m0/s1.

What are the key properties of cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?

cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1S,3R)-3-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120675632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).