2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one

C20H25N5O3 — CID 169236508

IUPAC2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one
SMILESCc1cc2[nH]nc(-c3cc(N4CCOCC4)c(=O)n(C)n3)c2cc1OC(C)C
InChIInChI=1S/C20H25N5O3/c1-12(2)28-18-10-14-15(9-13(18)3)21-22-19(14)16-11-17(20(26)24(4)23-16)25-5-7-27-8-6-25/h9-12H,5-8H2,1-4H3,(H,21,22)
InChIKeyHJVJHLFBPUKABJ-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one

2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one (PubChem CID 169236508) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one
PubChem CID169236508
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one
SMILESCc1cc2[nH]nc(-c3cc(N4CCOCC4)c(=O)n(C)n3)c2cc1OC(C)C
InChIInChI=1S/C20H25N5O3/c1-12(2)28-18-10-14-15(9-13(18)3)21-22-19(14)16-11-17(20(26)24(4)23-16)25-5-7-27-8-6-25/h9-12H,5-8H2,1-4H3,(H,21,22)
InChIKeyHJVJHLFBPUKABJ-UHFFFAOYSA-N
XLogP2.26
TPSA85.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one (CID 169236508) is 2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one is Cc1cc2[nH]nc(-c3cc(N4CCOCC4)c(=O)n(C)n3)c2cc1OC(C)C.
What is the InChIKey of 2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one?
The InChIKey is HJVJHLFBPUKABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-12(2)28-18-10-14-15(9-13(18)3)21-22-19(14)16-11-17(20(26)24(4)23-16)25-5-7-27-8-6-25/h9-12H,5-8H2,1-4H3,(H,21,22).
What are the key properties of 2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one?
2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one has a molecular weight of 383.45 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(6-methyl-5-propan-2-yloxy-1H-indazol-3-yl)-4-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 169236508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).