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

C39H43N11O4 — CID 169236310

IUPAC2-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
SMILESCC(C)Oc1cc2c(-c3cc(N4CCCC4)c(=O)n(C)n3)n[nH]c2cc1-c1cc(C(C)(C)C#N)cc2c1cnn2-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C39H43N11O4/c1-23(2)54-34-18-27-29(42-43-36(27)30-19-32(37(51)46(5)44-30)48-9-7-8-10-48)17-26(34)25-15-24(39(3,4)22-40)16-31-28(25)21-41-50(31)35-20-33(38(52)47(6)45-35)49-11-13-53-14-12-49/h15-21,23H,7-14H2,1-6H3,(H,42,43)
InChIKeyPQIIXAJVRTZAQR-UHFFFAOYSA-N
MW729.85 g/mol
LogP4.45
Rot. Bonds8

About 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

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 (PubChem CID 169236310) has the molecular formula C39H43N11O4 and a molecular weight of 729.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID169236310
Molecular FormulaC39H43N11O4
Molecular Weight729.85 g/mol
Exact Mass729.35
IUPAC Name2-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
SMILESCC(C)Oc1cc2c(-c3cc(N4CCCC4)c(=O)n(C)n3)n[nH]c2cc1-c1cc(C(C)(C)C#N)cc2c1cnn2-c1cc(N2CCOCC2)c(=O)n(C)n1
InChIInChI=1S/C39H43N11O4/c1-23(2)54-34-18-27-29(42-43-36(27)30-19-32(37(51)46(5)44-30)48-9-7-8-10-48)17-26(34)25-15-24(39(3,4)22-40)16-31-28(25)21-41-50(31)35-20-33(38(52)47(6)45-35)49-11-13-53-14-12-49/h15-21,23H,7-14H2,1-6H3,(H,42,43)
InChIKeyPQIIXAJVRTZAQR-UHFFFAOYSA-N
XLogP4.45
TPSA165.01 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.85
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one
CID 169236508
2-methyl-4-morpholin-4-yl-6-(1,6,7,8-tetrahydropyrano[2,3-f]indazol-3-yl)pyridazin-3-one
CID 169236294
4-morpholin-4-yl-6-(5-propan-2-yloxy-1H-indazol-3-yl)-2-(trifluoromethyl)pyridazin-3-one
CID 169236234
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
6-(1-iodophosphanyl-4-methyl-5-propan-2-yloxyindazol-3-yl)-2-methyl-4-morpholin-4-ylpyridazin-3-one
CID 169236305
6-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide
CID 90463098
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
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
6-[5-cyclopropyloxy-1-(oxan-2-yl)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one
CID 169236415
2-methyl-2-[4-(8-morpholin-4-yl-3H-pyrazolo[3,4-c]quinolin-1-yl)phenyl]propanenitrile
CID 44593920
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
ethane;6-[1-iodophosphanyl-5-(trifluoromethoxy)indazol-3-yl]-2-methyl-4-morpholin-4-ylpyridazin-3-one
CID 169236469

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)Oc1cc2c(-c3cc(N4CCCC4)c(=O)n(C)n3)n[nH]c2cc1-c1cc(C(C)(C)C#N)cc2c1cnn2-c1cc(N2CCOCC2)c(=O)n(C)n1.
What is the InChIKey of 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?
The InChIKey is PQIIXAJVRTZAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43N11O4/c1-23(2)54-34-18-27-29(42-43-36(27)30-19-32(37(51)46(5)44-30)48-9-7-8-10-48)17-26(34)25-15-24(39(3,4)22-40)16-31-28(25)21-41-50(31)35-20-33(38(52)47(6)45-35)49-11-13-53-14-12-49/h15-21,23H,7-14H2,1-6H3,(H,42,43).
What are the key properties of 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?
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 has a molecular weight of 729.85 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 169236310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).