N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine

C29H27N7 — CID 143370884

IUPACN-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine
SMILESCCN(C)Cc1ccc(-c2nc3ccn4c(-c5cn(C)cn5)nnc4c3cc2-c2ccccc2)cc1
InChIInChI=1S/C29H27N7/c1-4-34(2)17-20-10-12-22(13-11-20)27-23(21-8-6-5-7-9-21)16-24-25(31-27)14-15-36-28(24)32-33-29(36)26-18-35(3)19-30-26/h5-16,18-19H,4,17H2,1-3H3
InChIKeyRQIXHLZSDPVKMU-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.46
Rot. Bonds6

About N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine

N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine (PubChem CID 143370884) has the molecular formula C29H27N7 and a molecular weight of 473.58 g/mol. Its IUPAC name is N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine
PubChem CID143370884
Molecular FormulaC29H27N7
Molecular Weight473.58 g/mol
Exact Mass473.23
IUPAC NameN-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine
SMILESCCN(C)Cc1ccc(-c2nc3ccn4c(-c5cn(C)cn5)nnc4c3cc2-c2ccccc2)cc1
InChIInChI=1S/C29H27N7/c1-4-34(2)17-20-10-12-22(13-11-20)27-23(21-8-6-5-7-9-21)16-24-25(31-27)14-15-36-28(24)32-33-29(36)26-18-35(3)19-30-26/h5-16,18-19H,4,17H2,1-3H3
InChIKeyRQIXHLZSDPVKMU-UHFFFAOYSA-N
XLogP5.46
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine?
The IUPAC name of N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine (CID 143370884) is N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine?
The canonical SMILES for N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine is CCN(C)Cc1ccc(-c2nc3ccn4c(-c5cn(C)cn5)nnc4c3cc2-c2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine?
The InChIKey is RQIXHLZSDPVKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N7/c1-4-34(2)17-20-10-12-22(13-11-20)27-23(21-8-6-5-7-9-21)16-24-25(31-27)14-15-36-28(24)32-33-29(36)26-18-35(3)19-30-26/h5-16,18-19H,4,17H2,1-3H3.
What are the key properties of N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine?
N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine has a molecular weight of 473.58 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methyl]ethanamine is sourced from PubChem (CID 143370884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).