7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C23H20N8O — CID 90288333

IUPAC7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOc1ccc(-c2nn(C)cc2-c2cnc3ccc(Nc4cc(C)cnn4)nc3c2)cn1
InChIInChI=1S/C23H20N8O/c1-14-8-21(29-26-10-14)28-20-6-5-18-19(27-20)9-16(12-24-18)17-13-31(2)30-23(17)15-4-7-22(32-3)25-11-15/h4-13H,1-3H3,(H,27,28,29)
InChIKeyVCSQUYWSNVYFSZ-UHFFFAOYSA-N
MW424.47 g/mol
LogP3.94
Rot. Bonds5

About 7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90288333) has the molecular formula C23H20N8O and a molecular weight of 424.47 g/mol. Its IUPAC name is 7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90288333
Molecular FormulaC23H20N8O
Molecular Weight424.47 g/mol
Exact Mass424.18
IUPAC Name7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCOc1ccc(-c2nn(C)cc2-c2cnc3ccc(Nc4cc(C)cnn4)nc3c2)cn1
InChIInChI=1S/C23H20N8O/c1-14-8-21(29-26-10-14)28-20-6-5-18-19(27-20)9-16(12-24-18)17-13-31(2)30-23(17)15-4-7-22(32-3)25-11-15/h4-13H,1-3H3,(H,27,28,29)
InChIKeyVCSQUYWSNVYFSZ-UHFFFAOYSA-N
XLogP3.94
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.47
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90288333) is 7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine is COc1ccc(-c2nn(C)cc2-c2cnc3ccc(Nc4cc(C)cnn4)nc3c2)cn1.
What is the InChIKey of 7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is VCSQUYWSNVYFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N8O/c1-14-8-21(29-26-10-14)28-20-6-5-18-19(27-20)9-16(12-24-18)17-13-31(2)30-23(17)15-4-7-22(32-3)25-11-15/h4-13H,1-3H3,(H,27,28,29).
What are the key properties of 7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 424.47 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(6-methoxy-3-pyridinyl)-1-methylpyrazol-4-yl]-N-(5-methylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90288333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).