4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid

C26H30N6O4 — CID 135221340

About 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid

4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid (PubChem CID 135221340) has the molecular formula C26H30N6O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid
• PubChem CID: 135221340
• Molecular Formula: C26H30N6O4
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.23
• IUPAC Name: 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid
• SMILES: O=C(Nc1cc2cn(C3CCN(C(=O)O)CC3)nc2cc1C1CC1)c1cccc(N2CC[C@@H](O)C2)n1
• InChI: InChI=1S/C26H30N6O4/c33-19-8-11-31(15-19)24-3-1-2-21(27-24)25(34)28-23-12-17-14-32(18-6-9-30(10-7-18)26(35)36)29-22(17)13-20(23)16-4-5-16/h1-3,12-14,16,18-19,33H,4-11,15H2,(H,28,34)(H,35,36)/t19-/m1/s1
• InChIKey: JJGNIHAJGMXACR-LJQANCHMSA-N
• XLogP: 3.45
• TPSA: 123.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	3.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid?

The IUPAC name of 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid (CID 135221340) is 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid?

The canonical SMILES for 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid is O=C(Nc1cc2cn(C3CCN(C(=O)O)CC3)nc2cc1C1CC1)c1cccc(N2CC[C@@H](O)C2)n1.

What is the InChIKey of 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid?

The InChIKey is JJGNIHAJGMXACR-LJQANCHMSA-N. The full InChI is InChI=1S/C26H30N6O4/c33-19-8-11-31(15-19)24-3-1-2-21(27-24)25(34)28-23-12-17-14-32(18-6-9-30(10-7-18)26(35)36)29-22(17)13-20(23)16-4-5-16/h1-3,12-14,16,18-19,33H,4-11,15H2,(H,28,34)(H,35,36)/t19-/m1/s1.

What are the key properties of 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid?

4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid has a molecular weight of 490.56 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-cyclopropyl-5-[[6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-2-carbonyl]amino]indazol-2-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 135221340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).