1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone

C24H26N8O2 — CID 118504159

IUPAC1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(=O)N5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C24H26N8O2/c1-16(2)17-10-23(30-26-12-17)29-22-4-3-20-21(28-22)9-18(11-25-20)19-13-27-32(14-19)15-24(33)31-5-7-34-8-6-31/h3-4,9-14,16H,5-8,15H2,1-2H3,(H,28,29,30)
InChIKeySFQGYKGIWVOWDX-UHFFFAOYSA-N
MW458.53 g/mol
LogP3.01
Rot. Bonds6

About 1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone

1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone (PubChem CID 118504159) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone
PubChem CID118504159
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(=O)N5CCOCC5)c4)cc3n2)c1
InChIInChI=1S/C24H26N8O2/c1-16(2)17-10-23(30-26-12-17)29-22-4-3-20-21(28-22)9-18(11-25-20)19-13-27-32(14-19)15-24(33)31-5-7-34-8-6-31/h3-4,9-14,16H,5-8,15H2,1-2H3,(H,28,29,30)
InChIKeySFQGYKGIWVOWDX-UHFFFAOYSA-N
XLogP3.01
TPSA110.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone (CID 118504159) is 1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone is CC(C)c1cnnc(Nc2ccc3ncc(-c4cnn(CC(=O)N5CCOCC5)c4)cc3n2)c1.
What is the InChIKey of 1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone?
The InChIKey is SFQGYKGIWVOWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-16(2)17-10-23(30-26-12-17)29-22-4-3-20-21(28-22)9-18(11-25-20)19-13-27-32(14-19)15-24(33)31-5-7-34-8-6-31/h3-4,9-14,16H,5-8,15H2,1-2H3,(H,28,29,30).
What are the key properties of 1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone?
1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone has a molecular weight of 458.53 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]ethanone is sourced from PubChem (CID 118504159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).