cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone

C24H24N6O — CID 148956344

About cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone

cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone (PubChem CID 148956344) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

• Compound Name: cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
• PubChem CID: 148956344
• Molecular Formula: C24H24N6O
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.20
• IUPAC Name: cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
• SMILES: O=C(C1CC1)N1CC[C@@H](Cn2nnnc2-c2ccc(-c3ccc4c(c3)CN=C4)cc2)C1
• InChI: InChI=1S/C24H24N6O/c31-24(19-5-6-19)29-10-9-16(14-29)15-30-23(26-27-28-30)18-3-1-17(2-4-18)20-7-8-21-12-25-13-22(21)11-20/h1-4,7-8,11-12,16,19H,5-6,9-10,13-15H2/t16-/m1/s1
• InChIKey: PQXXATYQOPALCU-MRXNPFEDSA-N
• XLogP: 3.20
• TPSA: 76.27 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.50
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The IUPAC name of cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone (CID 148956344) is cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone.

What is the SMILES notation for cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The canonical SMILES for cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone is O=C(C1CC1)N1CC[C@@H](Cn2nnnc2-c2ccc(-c3ccc4c(c3)CN=C4)cc2)C1.

What is the InChIKey of cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

The InChIKey is PQXXATYQOPALCU-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N6O/c31-24(19-5-6-19)29-10-9-16(14-29)15-30-23(26-27-28-30)18-3-1-17(2-4-18)20-7-8-21-12-25-13-22(21)11-20/h1-4,7-8,11-12,16,19H,5-6,9-10,13-15H2/t16-/m1/s1.

What are the key properties of cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone?

cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone has a molecular weight of 412.50 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 148956344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).