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

C26H21N7 — CID 59472900

IUPAC[4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
SMILESCn1cc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(CN)cc5)nc4ccn23)cn1
InChIInChI=1S/C26H21N7/c1-32-16-20(15-28-32)25-30-31-26-22-13-21(18-5-3-2-4-6-18)24(29-23(22)11-12-33(25)26)19-9-7-17(14-27)8-10-19/h2-13,15-16H,14,27H2,1H3
InChIKeyJAIQVBTUPZQCFZ-UHFFFAOYSA-N
MW431.50 g/mol
LogP4.47
Rot. Bonds4

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

[4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine (PubChem CID 59472900) has the molecular formula C26H21N7 and a molecular weight of 431.50 g/mol. Its IUPAC name is [4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
PubChem CID59472900
Molecular FormulaC26H21N7
Molecular Weight431.50 g/mol
Exact Mass431.19
IUPAC Name[4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
SMILESCn1cc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(CN)cc5)nc4ccn23)cn1
InChIInChI=1S/C26H21N7/c1-32-16-20(15-28-32)25-30-31-26-22-13-21(18-5-3-2-4-6-18)24(29-23(22)11-12-33(25)26)19-9-7-17(14-27)8-10-19/h2-13,15-16H,14,27H2,1H3
InChIKeyJAIQVBTUPZQCFZ-UHFFFAOYSA-N
XLogP4.47
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
The IUPAC name of [4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine (CID 59472900) is [4-[3-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
The canonical SMILES for [4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine is Cn1cc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(CN)cc5)nc4ccn23)cn1.
What is the InChIKey of [4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
The InChIKey is JAIQVBTUPZQCFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7/c1-32-16-20(15-28-32)25-30-31-26-22-13-21(18-5-3-2-4-6-18)24(29-23(22)11-12-33(25)26)19-9-7-17(14-27)8-10-19/h2-13,15-16H,14,27H2,1H3.
What are the key properties of [4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
[4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine has a molecular weight of 431.50 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-methylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine is sourced from PubChem (CID 59472900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).