[4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine

C32H25N7 — CID 15980361

IUPAC[4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
SMILESCn1ncc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(CN)cc5)nc4ccn23)c1-c1ccccc1
InChIInChI=1S/C32H25N7/c1-38-30(24-10-6-3-7-11-24)27(20-34-38)32-37-36-31-26-18-25(22-8-4-2-5-9-22)29(35-28(26)16-17-39(31)32)23-14-12-21(19-33)13-15-23/h2-18,20H,19,33H2,1H3
InChIKeyQHSGIQMOJYASBU-UHFFFAOYSA-N
MW507.60 g/mol
LogP6.14
Rot. Bonds5

About [4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine

[4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine (PubChem CID 15980361) has the molecular formula C32H25N7 and a molecular weight of 507.60 g/mol. Its IUPAC name is [4-[3-(1-methyl-5-phenylpyrazol-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-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
PubChem CID15980361
Molecular FormulaC32H25N7
Molecular Weight507.60 g/mol
Exact Mass507.22
IUPAC Name[4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine
SMILESCn1ncc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(CN)cc5)nc4ccn23)c1-c1ccccc1
InChIInChI=1S/C32H25N7/c1-38-30(24-10-6-3-7-11-24)27(20-34-38)32-37-36-31-26-18-25(22-8-4-2-5-9-22)29(35-28(26)16-17-39(31)32)23-14-12-21(19-33)13-15-23/h2-18,20H,19,33H2,1H3
InChIKeyQHSGIQMOJYASBU-UHFFFAOYSA-N
XLogP6.14
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.60
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[3-(1-methyl-5-phenylpyrazol-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-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine (CID 15980361) is [4-[3-(1-methyl-5-phenylpyrazol-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-methyl-5-phenylpyrazol-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-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine is Cn1ncc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(CN)cc5)nc4ccn23)c1-c1ccccc1.
What is the InChIKey of [4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
The InChIKey is QHSGIQMOJYASBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N7/c1-38-30(24-10-6-3-7-11-24)27(20-34-38)32-37-36-31-26-18-25(22-8-4-2-5-9-22)29(35-28(26)16-17-39(31)32)23-14-12-21(19-33)13-15-23/h2-18,20H,19,33H2,1H3.
What are the key properties of [4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine?
[4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine has a molecular weight of 507.60 g/mol, XLogP of 6.14, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(1-methyl-5-phenylpyrazol-4-yl)-9-phenyl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl]phenyl]methanamine is sourced from PubChem (CID 15980361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).