10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one

C37H33N3O — CID 10052883

IUPAC10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SMILESCc1c2n(c3ccccc13)C(=O)C(Cc1ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1C)CC2
InChIInChI=1S/C37H33N3O/c1-26-32-20-12-13-21-35(32)40-34(26)23-22-28(36(40)41)24-33-27(2)39(25-38-33)37(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-21,25,28H,22-24H2,1-2H3
InChIKeyIBSBEFHWUSNCTP-UHFFFAOYSA-N
MW535.69 g/mol
LogP7.74
Rot. Bonds6

About 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one

10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one (PubChem CID 10052883) has the molecular formula C37H33N3O and a molecular weight of 535.69 g/mol. Its IUPAC name is 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one.

Molecular Properties

Compound Name10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
PubChem CID10052883
Molecular FormulaC37H33N3O
Molecular Weight535.69 g/mol
Exact Mass535.26
IUPAC Name10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SMILESCc1c2n(c3ccccc13)C(=O)C(Cc1ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1C)CC2
InChIInChI=1S/C37H33N3O/c1-26-32-20-12-13-21-35(32)40-34(26)23-22-28(36(40)41)24-33-27(2)39(25-38-33)37(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-21,25,28H,22-24H2,1-2H3
InChIKeyIBSBEFHWUSNCTP-UHFFFAOYSA-N
XLogP7.74
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.69
LogP ≤ 57.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The IUPAC name of 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one (CID 10052883) is 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one.
What is the SMILES notation for 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The canonical SMILES for 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one is Cc1c2n(c3ccccc13)C(=O)C(Cc1ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1C)CC2.
What is the InChIKey of 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The InChIKey is IBSBEFHWUSNCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H33N3O/c1-26-32-20-12-13-21-35(32)40-34(26)23-22-28(36(40)41)24-33-27(2)39(25-38-33)37(29-14-6-3-7-15-29,30-16-8-4-9-17-30)31-18-10-5-11-19-31/h3-21,25,28H,22-24H2,1-2H3.
What are the key properties of 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one has a molecular weight of 535.69 g/mol, XLogP of 7.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one is sourced from PubChem (CID 10052883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).