4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid

C28H26FN5O4 — CID 155260063

About 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid

4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid (PubChem CID 155260063) has the molecular formula C28H26FN5O4 and a molecular weight of 515.55 g/mol. Its IUPAC name is 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid.

Molecular Properties

• Compound Name: 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid
• PubChem CID: 155260063
• Molecular Formula: C28H26FN5O4
• Molecular Weight: 515.55 g/mol
• Exact Mass: 515.20
• IUPAC Name: 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid
• SMILES: Cc1c(F)ccc2[nH]c(C(=O)N3CCn4ncc(C(=O)N(C)C5(c6ccc(C(=O)O)cc6)CC5)c4C3)cc12
• InChI: InChI=1S/C28H26FN5O4/c1-16-19-13-23(31-22(19)8-7-21(16)29)26(36)33-11-12-34-24(15-33)20(14-30-34)25(35)32(2)28(9-10-28)18-5-3-17(4-6-18)27(37)38/h3-8,13-14,31H,9-12,15H2,1-2H3,(H,37,38)
• InChIKey: CZCWLJLPMMAELK-UHFFFAOYSA-N
• XLogP: 3.93
• TPSA: 111.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.55
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid?

The IUPAC name of 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid (CID 155260063) is 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid.

What is the SMILES notation for 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid?

The canonical SMILES for 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid is Cc1c(F)ccc2[nH]c(C(=O)N3CCn4ncc(C(=O)N(C)C5(c6ccc(C(=O)O)cc6)CC5)c4C3)cc12.

What is the InChIKey of 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid?

The InChIKey is CZCWLJLPMMAELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O4/c1-16-19-13-23(31-22(19)8-7-21(16)29)26(36)33-11-12-34-24(15-33)20(14-30-34)25(35)32(2)28(9-10-28)18-5-3-17(4-6-18)27(37)38/h3-8,13-14,31H,9-12,15H2,1-2H3,(H,37,38).

What are the key properties of 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid?

4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid has a molecular weight of 515.55 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[[5-(5-fluoro-4-methyl-1H-indole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carbonyl]-methylamino]cyclopropyl]benzoic acid is sourced from PubChem (CID 155260063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).