2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C20H25N5O3 — CID 3249111

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NCCCN3CCOCC3)n12
InChIInChI=1S/C20H25N5O3/c1-15-13-18(26)22-20-16-5-2-3-6-17(16)24(25(15)20)14-19(27)21-7-4-8-23-9-11-28-12-10-23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,21,27)
InChIKeyMPCSTQNLSZJCNZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP0.80
Rot. Bonds6

About 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 3249111) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID3249111
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESCc1cc(=O)nc2c3ccccc3n(CC(=O)NCCCN3CCOCC3)n12
InChIInChI=1S/C20H25N5O3/c1-15-13-18(26)22-20-16-5-2-3-6-17(16)24(25(15)20)14-19(27)21-7-4-8-23-9-11-28-12-10-23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,21,27)
InChIKeyMPCSTQNLSZJCNZ-UHFFFAOYSA-N
XLogP0.80
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 3249111) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Cc1cc(=O)nc2c3ccccc3n(CC(=O)NCCCN3CCOCC3)n12.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is MPCSTQNLSZJCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-15-13-18(26)22-20-16-5-2-3-6-17(16)24(25(15)20)14-19(27)21-7-4-8-23-9-11-28-12-10-23/h2-3,5-6,13H,4,7-12,14H2,1H3,(H,21,27).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 3249111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).