2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide

C21H27N5O3 — CID 22511532

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCC(C(=O)NCCN1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C21H27N5O3/c1-3-17(21(28)22-8-9-24-10-12-29-13-11-24)26-18-7-5-4-6-16(18)20-23-19(27)14-15(2)25(20)26/h4-7,14,17H,3,8-13H2,1-2H3,(H,22,28)
InChIKeyPTIIXGUDALPUPA-UHFFFAOYSA-N
MW397.48 g/mol
LogP1.36
Rot. Bonds6

About 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide (PubChem CID 22511532) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide
PubChem CID22511532
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide
SMILESCCC(C(=O)NCCN1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21
InChIInChI=1S/C21H27N5O3/c1-3-17(21(28)22-8-9-24-10-12-29-13-11-24)26-18-7-5-4-6-16(18)20-23-19(27)14-15(2)25(20)26/h4-7,14,17H,3,8-13H2,1-2H3,(H,22,28)
InChIKeyPTIIXGUDALPUPA-UHFFFAOYSA-N
XLogP1.36
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(2-morpholin-4-ylethyl)butanamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide (CID 22511532) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide is CCC(C(=O)NCCN1CCOCC1)n1c2ccccc2c2nc(=O)cc(C)n21.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide?
The InChIKey is PTIIXGUDALPUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-3-17(21(28)22-8-9-24-10-12-29-13-11-24)26-18-7-5-4-6-16(18)20-23-19(27)14-15(2)25(20)26/h4-7,14,17H,3,8-13H2,1-2H3,(H,22,28).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(2-morpholin-4-ylethyl)butanamide has a molecular weight of 397.48 g/mol, XLogP of 1.36, 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-(2-morpholin-4-ylethyl)butanamide is sourced from PubChem (CID 22511532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).