4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one

C42H56N10O6 — CID 169236429

IUPAC4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one
SMILESCCCCN(CCO)c1cc(-c2n[nH]c3ccc(OC(C)C)c(C)c23)nn(C)c1=O.Cn1nc(-c2n[nH]c3ccc(OC(C)(C)C)cc23)cc(N2CCOCC2)c1=O
InChIInChI=1S/C22H31N5O3.C20H25N5O3/c1-6-7-10-27(11-12-28)18-13-17(25-26(5)22(18)29)21-20-15(4)19(30-14(2)3)9-8-16(20)23-24-21;1-20(2,3)28-13-5-6-15-14(11-13)18(22-21-15)16-12-17(19(26)24(4)23-16)25-7-9-27-10-8-25/h8-9,13-14,28H,6-7,10-12H2,1-5H3,(H,23,24);5-6,11-12H,7-10H2,1-4H3,(H,21,22)
InChIKeyXMSMQXXWXIMKJA-UHFFFAOYSA-N
MW796.97 g/mol
LogP5.36
Rot. Bonds12

About 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one

4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one (PubChem CID 169236429) has the molecular formula C42H56N10O6 and a molecular weight of 796.97 g/mol. Its IUPAC name is 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one
PubChem CID169236429
Molecular FormulaC42H56N10O6
Molecular Weight796.97 g/mol
Exact Mass796.44
IUPAC Name4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one
SMILESCCCCN(CCO)c1cc(-c2n[nH]c3ccc(OC(C)C)c(C)c23)nn(C)c1=O.Cn1nc(-c2n[nH]c3ccc(OC(C)(C)C)cc23)cc(N2CCOCC2)c1=O
InChIInChI=1S/C22H31N5O3.C20H25N5O3/c1-6-7-10-27(11-12-28)18-13-17(25-26(5)22(18)29)21-20-15(4)19(30-14(2)3)9-8-16(20)23-24-21;1-20(2,3)28-13-5-6-15-14(11-13)18(22-21-15)16-12-17(19(26)24(4)23-16)25-7-9-27-10-8-25/h8-9,13-14,28H,6-7,10-12H2,1-5H3,(H,23,24);5-6,11-12H,7-10H2,1-4H3,(H,21,22)
InChIKeyXMSMQXXWXIMKJA-UHFFFAOYSA-N
XLogP5.36
TPSA181.54 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500796.97
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Analyze 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one 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

2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one
CID 169236508
4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one
CID 169236234
6-(1-iodophosphanyl-4-methyl-5-propan-2-yloxyindazol-3-yl)-2-methyl-4-morpholin-4-ylpyridazin-3-one
CID 169236305
4-[(7R)-7-(hydroxymethyl)-1,4-oxazepan-4-yl]-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
CID 169236529
2-methyl-4-morpholin-4-yl-6-(1,6,7,8-tetrahydropyrano[2,3-f]indazol-3-yl)pyridazin-3-one
CID 169236294
2-methyl-2-[1-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)-4-[3-(1-methyl-6-oxo-5-pyrrolidin-1-ylpyridazin-3-yl)-5-propan-2-yloxy-1H-indazol-6-yl]indazol-6-yl]propanenitrile
CID 169236310
ethane;6-[1-iodophosphanyl-5-(trifluoromethoxy)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one
CID 169236469
4-(2,2-dimethyl-1,4-oxazepan-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
CID 169236499
4-(2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl)-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
CID 169236283
4-[5-(5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-yl]morpholine
CID 169236238
4-[(4R)-4-hydroxy-3,3-dimethylpyrrolidin-1-yl]-2-methyl-6-[5-(1-methylcyclopropyl)oxy-1H-indazol-3-yl]pyridazin-3-one
CID 169236509
6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one
CID 169236415

Frequently Asked Questions

What is the IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one (CID 169236429) is 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one is CCCCN(CCO)c1cc(-c2n[nH]c3ccc(OC(C)C)c(C)c23)nn(C)c1=O.Cn1nc(-c2n[nH]c3ccc(OC(C)(C)C)cc23)cc(N2CCOCC2)c1=O.
What is the InChIKey of 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one?
The InChIKey is XMSMQXXWXIMKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O3.C20H25N5O3/c1-6-7-10-27(11-12-28)18-13-17(25-26(5)22(18)29)21-20-15(4)19(30-14(2)3)9-8-16(20)23-24-21;1-20(2,3)28-13-5-6-15-14(11-13)18(22-21-15)16-12-17(19(26)24(4)23-16)25-7-9-27-10-8-25/h8-9,13-14,28H,6-7,10-12H2,1-5H3,(H,23,24);5-6,11-12H,7-10H2,1-4H3,(H,21,22).
What are the key properties of 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one?
4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one has a molecular weight of 796.97 g/mol, XLogP of 5.36, 12 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[butyl(2-hydroxyethyl)amino]-2-methyl-6-(4-methyl-5-propan-2-yloxy-1H-indazol-3-yl)pyridazin-3-one;2-methyl-6-[5-[(2-methylpropan-2-yl)oxy]-1H-indazol-3-yl]-4-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 169236429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).