7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

C20H19N7 — CID 90289380

IUPAC7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESC=C(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4C)cc3n2)c1
InChIInChI=1S/C20H19N7/c1-12(2)14-8-20(25-22-10-14)24-19-6-5-17-18(23-19)7-15(9-21-17)16-11-27(4)26-13(16)3/h5-11H,1H2,2-4H3,(H,23,24,25)
InChIKeyZRAWPFBKBBAXTL-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.91
Rot. Bonds4

About 7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine

7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 90289380) has the molecular formula C20H19N7 and a molecular weight of 357.42 g/mol. Its IUPAC name is 7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID90289380
Molecular FormulaC20H19N7
Molecular Weight357.42 g/mol
Exact Mass357.17
IUPAC Name7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESC=C(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4C)cc3n2)c1
InChIInChI=1S/C20H19N7/c1-12(2)14-8-20(25-22-10-14)24-19-6-5-17-18(23-19)7-15(9-21-17)16-11-27(4)26-13(16)3/h5-11H,1H2,2-4H3,(H,23,24,25)
InChIKeyZRAWPFBKBBAXTL-UHFFFAOYSA-N
XLogP3.91
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 90289380) is 7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is C=C(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4C)cc3n2)c1.
What is the InChIKey of 7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is ZRAWPFBKBBAXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7/c1-12(2)14-8-20(25-22-10-14)24-19-6-5-17-18(23-19)7-15(9-21-17)16-11-27(4)26-13(16)3/h5-11H,1H2,2-4H3,(H,23,24,25).
What are the key properties of 7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 357.42 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,3-dimethylpyrazol-4-yl)-N-(5-prop-1-en-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 90289380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).