6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one

C21H17N7O2 — CID 58094538

IUPAC6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc4cn(C)nc4c3)n2)n1
InChIInChI=1S/C21H17N7O2/c1-28-11-13-3-4-14(8-15(13)27-28)24-20-19-12(5-6-23-21(19)29)7-16(26-20)17-9-22-10-18(25-17)30-2/h3-11H,1-2H3,(H,23,29)(H,24,26)
InChIKeyXNTNAPXYNCUXAA-UHFFFAOYSA-N
MW399.41 g/mol
LogP3.02
Rot. Bonds4

About 6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one

6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one (PubChem CID 58094538) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is 6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one
PubChem CID58094538
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one
SMILESCOc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc4cn(C)nc4c3)n2)n1
InChIInChI=1S/C21H17N7O2/c1-28-11-13-3-4-14(8-15(13)27-28)24-20-19-12(5-6-23-21(19)29)7-16(26-20)17-9-22-10-18(25-17)30-2/h3-11H,1-2H3,(H,23,29)(H,24,26)
InChIKeyXNTNAPXYNCUXAA-UHFFFAOYSA-N
XLogP3.02
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one?
The IUPAC name of 6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one (CID 58094538) is 6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one is COc1cncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc4cn(C)nc4c3)n2)n1.
What is the InChIKey of 6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one?
The InChIKey is XNTNAPXYNCUXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7O2/c1-28-11-13-3-4-14(8-15(13)27-28)24-20-19-12(5-6-23-21(19)29)7-16(26-20)17-9-22-10-18(25-17)30-2/h3-11H,1-2H3,(H,23,29)(H,24,26).
What are the key properties of 6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one?
6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one has a molecular weight of 399.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-methoxypyrazin-2-yl)-8-[(2-methylindazol-6-yl)amino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 58094538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).