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

C26H19N7 — CID 59473066

IUPAC[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccn4c(-c5ncccn5)nnc4c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H19N7/c27-16-17-7-9-19(10-8-17)23-20(18-5-2-1-3-6-18)15-21-22(30-23)11-14-33-25(21)31-32-26(33)24-28-12-4-13-29-24/h1-15H,16,27H2
InChIKeyZRPNMLQQWFLSFX-UHFFFAOYSA-N
MW429.49 g/mol
LogP4.53
Rot. Bonds4

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

[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine (PubChem CID 59473066) has the molecular formula C26H19N7 and a molecular weight of 429.49 g/mol. Its IUPAC name is [4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
PubChem CID59473066
Molecular FormulaC26H19N7
Molecular Weight429.49 g/mol
Exact Mass429.17
IUPAC Name[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine
SMILESNCc1ccc(-c2nc3ccn4c(-c5ncccn5)nnc4c3cc2-c2ccccc2)cc1
InChIInChI=1S/C26H19N7/c27-16-17-7-9-19(10-8-17)23-20(18-5-2-1-3-6-18)15-21-22(30-23)11-14-33-25(21)31-32-26(33)24-28-12-4-13-29-24/h1-15H,16,27H2
InChIKeyZRPNMLQQWFLSFX-UHFFFAOYSA-N
XLogP4.53
TPSA94.88 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.49
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine?
The IUPAC name of [4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine (CID 59473066) is [4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine.
What is the SMILES notation for [4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine?
The canonical SMILES for [4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine is NCc1ccc(-c2nc3ccn4c(-c5ncccn5)nnc4c3cc2-c2ccccc2)cc1.
What is the InChIKey of [4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine?
The InChIKey is ZRPNMLQQWFLSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N7/c27-16-17-7-9-19(10-8-17)23-20(18-5-2-1-3-6-18)15-21-22(30-23)11-14-33-25(21)31-32-26(33)24-28-12-4-13-29-24/h1-15H,16,27H2.
What are the key properties of [4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine?
[4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine has a molecular weight of 429.49 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(9-phenyl-3-pyrimidin-2-yl-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-8-yl)phenyl]methanamine is sourced from PubChem (CID 59473066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).