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

C24H24N6O — CID 148956344

IUPACcyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@@H](Cn2nnnc2-c2ccc(-c3ccc4c(c3)CN=C4)cc2)C1
InChIInChI=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
InChIKeyPQXXATYQOPALCU-MRXNPFEDSA-N
MW412.50 g/mol
LogP3.20
Rot. Bonds5

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 Namecyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
PubChem CID148956344
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Namecyclopropyl-[(3R)-3-[[5-[4-(3H-isoindol-5-yl)phenyl]tetrazol-1-yl]methyl]pyrrolidin-1-yl]methanone
SMILESO=C(C1CC1)N1CC[C@@H](Cn2nnnc2-c2ccc(-c3ccc4c(c3)CN=C4)cc2)C1
InChIInChI=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
InChIKeyPQXXATYQOPALCU-MRXNPFEDSA-N
XLogP3.20
TPSA76.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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).