4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one

C19H22N4O3 — CID 22511465

IUPAC4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one
SMILESCCC(C(=O)N1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C19H22N4O3/c1-3-15(19(25)21-8-10-26-11-9-21)23-16-7-5-4-6-14(16)18-20-17(24)12-13(2)22(18)23/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyKXFCDCYZQOZQHT-UHFFFAOYSA-N
MW354.41 g/mol
LogP1.77
Rot. Bonds3

About 4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one

4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one (PubChem CID 22511465) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one.

Molecular Properties

Compound Name4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one
PubChem CID22511465
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one
SMILESCCC(C(=O)N1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C19H22N4O3/c1-3-15(19(25)21-8-10-26-11-9-21)23-16-7-5-4-6-14(16)18-20-17(24)12-13(2)22(18)23/h4-7,12,15H,3,8-11H2,1-2H3
InChIKeyKXFCDCYZQOZQHT-UHFFFAOYSA-N
XLogP1.77
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one?
The IUPAC name of 4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one (CID 22511465) is 4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one.
What is the SMILES notation for 4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one?
The canonical SMILES for 4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one is CCC(C(=O)N1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of 4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one?
The InChIKey is KXFCDCYZQOZQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-15(19(25)21-8-10-26-11-9-21)23-16-7-5-4-6-14(16)18-20-17(24)12-13(2)22(18)23/h4-7,12,15H,3,8-11H2,1-2H3.
What are the key properties of 4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one?
4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one has a molecular weight of 354.41 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1-morpholin-4-yl-1-oxobutan-2-yl)pyrimido[1,2-b]indazol-2-one is sourced from PubChem (CID 22511465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).