4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one

C19H24N6O2 — CID 11660668

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one
SMILESCc1cc(Nc2nn(C(C)C)c(=O)c3cc(N4CCOCC4)ccc23)n[nH]1
InChIInChI=1S/C19H24N6O2/c1-12(2)25-19(26)16-11-14(24-6-8-27-9-7-24)4-5-15(16)18(23-25)20-17-10-13(3)21-22-17/h4-5,10-12H,6-9H2,1-3H3,(H2,20,21,22,23)
InChIKeyYYPUQHOGGPATGQ-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.59
Rot. Bonds4

About 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one

4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one (PubChem CID 11660668) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one
PubChem CID11660668
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one
SMILESCc1cc(Nc2nn(C(C)C)c(=O)c3cc(N4CCOCC4)ccc23)n[nH]1
InChIInChI=1S/C19H24N6O2/c1-12(2)25-19(26)16-11-14(24-6-8-27-9-7-24)4-5-15(16)18(23-25)20-17-10-13(3)21-22-17/h4-5,10-12H,6-9H2,1-3H3,(H2,20,21,22,23)
InChIKeyYYPUQHOGGPATGQ-UHFFFAOYSA-N
XLogP2.59
TPSA88.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one (CID 11660668) is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one is Cc1cc(Nc2nn(C(C)C)c(=O)c3cc(N4CCOCC4)ccc23)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one?
The InChIKey is YYPUQHOGGPATGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-12(2)25-19(26)16-11-14(24-6-8-27-9-7-24)4-5-15(16)18(23-25)20-17-10-13(3)21-22-17/h4-5,10-12H,6-9H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one?
4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one has a molecular weight of 368.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-7-morpholin-4-yl-2-propan-2-ylphthalazin-1-one is sourced from PubChem (CID 11660668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).