[4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine

C29H21N7 — CID 67347311

IUPAC[4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccn4c(-c5cn6ccccc6n5)nnc4c3cc2-c2ccccc2)cc1
InChIInChI=1S/C29H21N7/c30-17-19-9-11-21(12-10-19)27-22(20-6-2-1-3-7-20)16-23-24(32-27)13-15-36-28(23)33-34-29(36)25-18-35-14-5-4-8-26(35)31-25/h1-16,18H,17,30H2
InChIKeyFGVTWYQEWVTWSH-UHFFFAOYSA-N
MW467.54 g/mol
LogP5.38
Rot. Bonds4

About [4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine

[4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine (PubChem CID 67347311) has the molecular formula C29H21N7 and a molecular weight of 467.54 g/mol. Its IUPAC name is [4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
PubChem CID67347311
Molecular FormulaC29H21N7
Molecular Weight467.54 g/mol
Exact Mass467.19
IUPAC Name[4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccn4c(-c5cn6ccccc6n5)nnc4c3cc2-c2ccccc2)cc1
InChIInChI=1S/C29H21N7/c30-17-19-9-11-21(12-10-19)27-22(20-6-2-1-3-7-20)16-23-24(32-27)13-15-36-28(23)33-34-29(36)25-18-35-14-5-4-8-26(35)31-25/h1-16,18H,17,30H2
InChIKeyFGVTWYQEWVTWSH-UHFFFAOYSA-N
XLogP5.38
TPSA86.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.54
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
CID 59473066
[4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 59472900
[4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 15980361
[4-[9-phenyl-3-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 15980490
[4-[3-(azetidin-1-ylmethyl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
CID 59472965
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
8,9-diphenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridine
CID 141180044
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclohexan-1-amine;dihydrochloride
CID 67254639
1-[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]cyclopropan-1-amine
CID 59473018
3-methoxy-3-methyl-1-[4-[3-(1-methylimidazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclobutan-1-amine
CID 58229850
1-[4-[9-phenyl-3-([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]cyclopropan-1-amine
CID 59473046

Frequently Asked Questions

What is the IUPAC name of [4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine?
The IUPAC name of [4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine (CID 67347311) is [4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine.
What is the SMILES notation for [4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine?
The canonical SMILES for [4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine is NCc1ccc(-c2nc3ccn4c(-c5cn6ccccc6n5)nnc4c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine?
The InChIKey is FGVTWYQEWVTWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N7/c30-17-19-9-11-21(12-10-19)27-22(20-6-2-1-3-7-20)16-23-24(32-27)13-15-36-28(23)33-34-29(36)25-18-35-14-5-4-8-26(35)31-25/h1-16,18H,17,30H2.
What are the key properties of [4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine?
[4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine has a molecular weight of 467.54 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-imidazo[1,2-a]pyridin-2-yl-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine is sourced from PubChem (CID 67347311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).