2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine

C22H19N7 — CID 118660753

IUPAC2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(-c5nccn5C)nc34)cc2)cn1
InChIInChI=1S/C22H19N7/c1-28-10-9-24-22(28)19-8-7-17-20(27-19)18(12-25-21(17)23)15-5-3-14(4-6-15)16-11-26-29(2)13-16/h3-13H,1-2H3,(H2,23,25)
InChIKeyZPRRYBVGWOTQNB-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.68
Rot. Bonds3

About 2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine

2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine (PubChem CID 118660753) has the molecular formula C22H19N7 and a molecular weight of 381.44 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine
PubChem CID118660753
Molecular FormulaC22H19N7
Molecular Weight381.44 g/mol
Exact Mass381.17
IUPAC Name2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(-c5nccn5C)nc34)cc2)cn1
InChIInChI=1S/C22H19N7/c1-28-10-9-24-22(28)19-8-7-17-20(27-19)18(12-25-21(17)23)15-5-3-14(4-6-15)16-11-26-29(2)13-16/h3-13H,1-2H3,(H2,23,25)
InChIKeyZPRRYBVGWOTQNB-UHFFFAOYSA-N
XLogP3.68
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine?
The IUPAC name of 2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine (CID 118660753) is 2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine is Cn1cc(-c2ccc(-c3cnc(N)c4ccc(-c5nccn5C)nc34)cc2)cn1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine?
The InChIKey is ZPRRYBVGWOTQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N7/c1-28-10-9-24-22(28)19-8-7-17-20(27-19)18(12-25-21(17)23)15-5-3-14(4-6-15)16-11-26-29(2)13-16/h3-13H,1-2H3,(H2,23,25).
What are the key properties of 2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine?
2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine has a molecular weight of 381.44 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-5-amine is sourced from PubChem (CID 118660753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).