(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole

C32H25FN4 — CID 71452298

IUPAC(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESFc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(c4ccccc4)N3)[nH]2)cc1
InChIInChI=1S/C32H25FN4/c33-24-17-15-21(16-18-24)29-20-34-31(36-29)28-19-26-25-13-7-8-14-27(25)35-30(26)32(37-28,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,20,28,35,37H,19H2,(H,34,36)/t28-/m1/s1
InChIKeyMPQQLIGMXDXMJD-MUUNZHRXSA-N
MW484.58 g/mol
LogP6.88
Rot. Bonds4

About (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole

(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole (PubChem CID 71452298) has the molecular formula C32H25FN4 and a molecular weight of 484.58 g/mol. Its IUPAC name is (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
PubChem CID71452298
Molecular FormulaC32H25FN4
Molecular Weight484.58 g/mol
Exact Mass484.21
IUPAC Name(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole
SMILESFc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(c4ccccc4)N3)[nH]2)cc1
InChIInChI=1S/C32H25FN4/c33-24-17-15-21(16-18-24)29-20-34-31(36-29)28-19-26-25-13-7-8-14-27(25)35-30(26)32(37-28,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,20,28,35,37H,19H2,(H,34,36)/t28-/m1/s1
InChIKeyMPQQLIGMXDXMJD-MUUNZHRXSA-N
XLogP6.88
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.58
LogP ≤ 56.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
The IUPAC name of (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole (CID 71452298) is (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole is Fc1ccc(-c2cnc([C@H]3Cc4c([nH]c5ccccc45)C(c4ccccc4)(c4ccccc4)N3)[nH]2)cc1.
What is the InChIKey of (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
The InChIKey is MPQQLIGMXDXMJD-MUUNZHRXSA-N. The full InChI is InChI=1S/C32H25FN4/c33-24-17-15-21(16-18-24)29-20-34-31(36-29)28-19-26-25-13-7-8-14-27(25)35-30(26)32(37-28,22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-18,20,28,35,37H,19H2,(H,34,36)/t28-/m1/s1.
What are the key properties of (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole?
(3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole has a molecular weight of 484.58 g/mol, XLogP of 6.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 71452298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).