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

C37H31N3O — CID 70072025

IUPAC10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one
SMILESCc1c2n(c3ccccc13)C(=O)C(Cc1ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1C)C=C2
InChIInChI=1S/C37H31N3O/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/h3-23,25,28H,24H2,1-2H3
InChIKeyLGFWAMSDOVWWMK-UHFFFAOYSA-N
MW533.68 g/mol
LogP7.82
Rot. Bonds6

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

10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one (PubChem CID 70072025) has the molecular formula C37H31N3O and a molecular weight of 533.68 g/mol. Its IUPAC name is 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one.

Molecular Properties

Compound Name10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one
PubChem CID70072025
Molecular FormulaC37H31N3O
Molecular Weight533.68 g/mol
Exact Mass533.25
IUPAC Name10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one
SMILESCc1c2n(c3ccccc13)C(=O)C(Cc1ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1C)C=C2
InChIInChI=1S/C37H31N3O/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/h3-23,25,28H,24H2,1-2H3
InChIKeyLGFWAMSDOVWWMK-UHFFFAOYSA-N
XLogP7.82
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.68
LogP ≤ 57.82
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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Related Compounds

Ondansetron
CID 4595
Fabesetron
CID 208947
(R)-Ondansetron
CID 667538
Ondansetron, (3S)-
CID 698135
PKCbeta Inhibitor
CID 6419755
[1-(3-Methylphenyl)benzimidazol-5-yl]-(3-phenylpiperidin-1-yl)methanone
CID 71307812
3-(4-aminophenyl)-N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-2-(5-carbamimidoyl-1H-indol-3-yl)propanamide
CID 23646218
N-[4-(1H-1,3-benzodiazol-1-yl)-2-fluorophenyl]-2-(5-carbamimidoyl-1-methyl-1H-indol-3-yl)-3-phenylpropanamide
CID 23646223
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-2-[(5-carbamimidoyl-1H-indol-3-yl)methyl]-3-phenylpropanamide
CID 23646224
N-[4-(1H-1,3-benzodiazol-1-yl)phenyl]-3-(5-carbamimidoyl-1H-indol-3-yl)-4-phenylbutanamide
CID 23646225
N-{[4-(1H-1,3-benzodiazol-1-yl)phenyl]methyl}-2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenylpropanamide
CID 23646226
2-(5-carbamimidoyl-1H-indol-3-yl)-3-phenyl-N-[4-(4-phenyl-1H-imidazol-1-yl)phenyl]propanamide
CID 23646229

Frequently Asked Questions

What is the IUPAC name of 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one?
The IUPAC name of 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one (CID 70072025) is 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one.
What is the SMILES notation for 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one?
The canonical SMILES for 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one is Cc1c2n(c3ccccc13)C(=O)C(Cc1ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1C)C=C2.
What is the InChIKey of 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one?
The InChIKey is LGFWAMSDOVWWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N3O/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/h3-23,25,28H,24H2,1-2H3.
What are the key properties of 10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one?
10-methyl-7-[(5-methyl-1-tritylimidazol-4-yl)methyl]-7H-pyrido[1,2-a]indol-6-one has a molecular weight of 533.68 g/mol, XLogP of 7.82, 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]-7H-pyrido[1,2-a]indol-6-one is sourced from PubChem (CID 70072025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).