7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine

C26H28N8 — CID 118519372

IUPAC7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCCC(CC)C1=CNNC(Nc2ccc3ncc(-c4cn(C)nc4-c4ccncc4)cc3n2)=C1
InChIInChI=1S/C26H28N8/c1-4-17(5-2)19-13-25(32-29-15-19)31-24-7-6-22-23(30-24)12-20(14-28-22)21-16-34(3)33-26(21)18-8-10-27-11-9-18/h6-17,29,32H,4-5H2,1-3H3,(H,30,31)
InChIKeyDZIKNEIHJVBDNV-UHFFFAOYSA-N
MW452.57 g/mol
LogP4.77
Rot. Bonds7

About 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine

7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine (PubChem CID 118519372) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine.

Molecular Properties

Compound Name7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine
PubChem CID118519372
Molecular FormulaC26H28N8
Molecular Weight452.57 g/mol
Exact Mass452.24
IUPAC Name7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine
SMILESCCC(CC)C1=CNNC(Nc2ccc3ncc(-c4cn(C)nc4-c4ccncc4)cc3n2)=C1
InChIInChI=1S/C26H28N8/c1-4-17(5-2)19-13-25(32-29-15-19)31-24-7-6-22-23(30-24)12-20(14-28-22)21-16-34(3)33-26(21)18-8-10-27-11-9-18/h6-17,29,32H,4-5H2,1-3H3,(H,30,31)
InChIKeyDZIKNEIHJVBDNV-UHFFFAOYSA-N
XLogP4.77
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine?
The IUPAC name of 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine (CID 118519372) is 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine.
What is the SMILES notation for 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine?
The canonical SMILES for 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine is CCC(CC)C1=CNNC(Nc2ccc3ncc(-c4cn(C)nc4-c4ccncc4)cc3n2)=C1.
What is the InChIKey of 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine?
The InChIKey is DZIKNEIHJVBDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-4-17(5-2)19-13-25(32-29-15-19)31-24-7-6-22-23(30-24)12-20(14-28-22)21-16-34(3)33-26(21)18-8-10-27-11-9-18/h6-17,29,32H,4-5H2,1-3H3,(H,30,31).
What are the key properties of 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine?
7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine has a molecular weight of 452.57 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-methyl-3-pyridin-4-ylpyrazol-4-yl)-N-(5-pentan-3-yl-1,2-dihydropyridazin-3-yl)-1,5-naphthyridin-2-amine is sourced from PubChem (CID 118519372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).