[(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

C23H33N5O — CID 26234647

About [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone

[(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 26234647) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
• PubChem CID: 26234647
• Molecular Formula: C23H33N5O
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.27
• IUPAC Name: [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone
• SMILES: CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCCc1ccccn1)C2
• InChI: InChI=1S/C23H33N5O/c1-17(2)16-28-21-9-8-19(25-12-10-18-7-3-4-11-24-18)15-20(21)22(26-28)23(29)27-13-5-6-14-27/h3-4,7,11,17,19,25H,5-6,8-10,12-16H2,1-2H3/t19-/m0/s1
• InChIKey: ZZLOACGJSDSPKO-IBGZPJMESA-N
• XLogP: 2.86
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?

The IUPAC name of [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone (CID 26234647) is [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone.

What is the SMILES notation for [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?

The canonical SMILES for [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is CC(C)Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H](NCCc1ccccn1)C2.

What is the InChIKey of [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?

The InChIKey is ZZLOACGJSDSPKO-IBGZPJMESA-N. The full InChI is InChI=1S/C23H33N5O/c1-17(2)16-28-21-9-8-19(25-12-10-18-7-3-4-11-24-18)15-20(21)22(26-28)23(29)27-13-5-6-14-27/h3-4,7,11,17,19,25H,5-6,8-10,12-16H2,1-2H3/t19-/m0/s1.

What are the key properties of [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone?

[(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 395.55 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-1-(2-methylpropyl)-5-(2-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 26234647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).