(3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C24H24N4O — CID 70690870

IUPAC(3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)[nH]2)cc1
InChIInChI=1S/C24H24N4O/c1-2-6-15(7-3-1)21-13-25-24(28-21)20-12-18-17-8-4-5-9-19(17)26-23(18)22(27-20)16-10-11-29-14-16/h1-9,13,16,20,22,26-27H,10-12,14H2,(H,25,28)/t16?,20-,22?/m1/s1
InChIKeyVIQAUCPQTICPGJ-PWOUQQLPSA-N
MW384.48 g/mol
LogP4.52
Rot. Bonds3

About (3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

(3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 70690870) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is (3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name(3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID70690870
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name(3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)[nH]2)cc1
InChIInChI=1S/C24H24N4O/c1-2-6-15(7-3-1)21-13-25-24(28-21)20-12-18-17-8-4-5-9-19(17)26-23(18)22(27-20)16-10-11-29-14-16/h1-9,13,16,20,22,26-27H,10-12,14H2,(H,25,28)/t16?,20-,22?/m1/s1
InChIKeyVIQAUCPQTICPGJ-PWOUQQLPSA-N
XLogP4.52
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of (3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 70690870) is (3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for (3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for (3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is c1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)C(C4CCOC4)N3)[nH]2)cc1.
What is the InChIKey of (3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is VIQAUCPQTICPGJ-PWOUQQLPSA-N. The full InChI is InChI=1S/C24H24N4O/c1-2-6-15(7-3-1)21-13-25-24(28-21)20-12-18-17-8-4-5-9-19(17)26-23(18)22(27-20)16-10-11-29-14-16/h1-9,13,16,20,22,26-27H,10-12,14H2,(H,25,28)/t16?,20-,22?/m1/s1.
What are the key properties of (3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
(3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 384.48 g/mol, XLogP of 4.52, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(oxolan-3-yl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 70690870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).