N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide

C30H32N8O3 — CID 90289483

IUPACN,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4COc4cccc(OCC(=O)N(C)C)c4)cc3n2)c1
InChIInChI=1S/C30H32N8O3/c1-19(2)20-12-29(35-32-15-20)34-28-10-9-25-26(33-28)11-21(14-31-25)24-16-38(5)36-27(24)17-40-22-7-6-8-23(13-22)41-18-30(39)37(3)4/h6-16,19H,17-18H2,1-5H3,(H,33,34,35)
InChIKeyPYXRFXOBSDIHKO-UHFFFAOYSA-N
MW552.64 g/mol
LogP4.73
Rot. Bonds10

About N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide

N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide (PubChem CID 90289483) has the molecular formula C30H32N8O3 and a molecular weight of 552.64 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide
PubChem CID90289483
Molecular FormulaC30H32N8O3
Molecular Weight552.64 g/mol
Exact Mass552.26
IUPAC NameN,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide
SMILESCC(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4COc4cccc(OCC(=O)N(C)C)c4)cc3n2)c1
InChIInChI=1S/C30H32N8O3/c1-19(2)20-12-29(35-32-15-20)34-28-10-9-25-26(33-28)11-21(14-31-25)24-16-38(5)36-27(24)17-40-22-7-6-8-23(13-22)41-18-30(39)37(3)4/h6-16,19H,17-18H2,1-5H3,(H,33,34,35)
InChIKeyPYXRFXOBSDIHKO-UHFFFAOYSA-N
XLogP4.73
TPSA120.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.64
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[1-methyl-3-[[methyl(pyridin-3-yl)amino]methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 118510246
7-[3-[4-[2-(dimethylamino)ethoxy]phenyl]-1-methylpyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 118504246
7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288861
tert-butyl 3-[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]azetidine-1-carboxylate
CID 118497407
7-(1-methyl-3-morpholin-4-ylpyrazol-4-yl)-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90289306
7-(1,3-dimethylpyrazol-4-yl)-N-[5-(2-methylpropyl)pyridazin-3-yl]-1,5-naphthyridin-2-amine
CID 118504254
7-[1-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288959
7-[1-[(6-methoxy-2-pyridinyl)methyl]pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 90288621
7-[3-ethyl-1-(3-morpholin-4-ylpropyl)pyrazol-4-yl]-N-(5-propan-2-ylpyridazin-3-yl)-1,5-naphthyridin-2-amine
CID 118497408
[3-amino-4-[3-[2-(dimethylamino)ethoxy]phenoxy]-2-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]but-2-enylidene]-methylazanium
CID 163589624
N-(5-propan-2-ylpyridazin-3-yl)-7-[1-(1,3-thiazol-4-ylmethyl)pyrazol-4-yl]-1,5-naphthyridin-2-amine
CID 90288531
N-propan-2-yl-4-[[4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-1-yl]methyl]piperidine-1-carboxamide
CID 118504146

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide (CID 90289483) is N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide is CC(C)c1cnnc(Nc2ccc3ncc(-c4cn(C)nc4COc4cccc(OCC(=O)N(C)C)c4)cc3n2)c1.
What is the InChIKey of N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide?
The InChIKey is PYXRFXOBSDIHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O3/c1-19(2)20-12-29(35-32-15-20)34-28-10-9-25-26(33-28)11-21(14-31-25)24-16-38(5)36-27(24)17-40-22-7-6-8-23(13-22)41-18-30(39)37(3)4/h6-16,19H,17-18H2,1-5H3,(H,33,34,35).
What are the key properties of N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide?
N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide has a molecular weight of 552.64 g/mol, XLogP of 4.73, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-[[1-methyl-4-[6-[(5-propan-2-ylpyridazin-3-yl)amino]-1,5-naphthyridin-3-yl]pyrazol-3-yl]methoxy]phenoxy]acetamide is sourced from PubChem (CID 90289483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).