3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

C24H23N5O3 — CID 17468095

IUPAC3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C24H23N5O3/c1-13-17(14(2)29-23(25-13)18-6-4-5-7-19(18)28-29)9-11-22(30)26-16-8-10-21-20(12-16)27-24(31)15(3)32-21/h4-8,10,12,15H,9,11H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyDLWUUWHOWJENBQ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.79
Rot. Bonds4

About 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (PubChem CID 17468095) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.

Molecular Properties

Compound Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
PubChem CID17468095
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
SMILESCc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc2c(c1)NC(=O)C(C)O2
InChIInChI=1S/C24H23N5O3/c1-13-17(14(2)29-23(25-13)18-6-4-5-7-19(18)28-29)9-11-22(30)26-16-8-10-21-20(12-16)27-24(31)15(3)32-21/h4-8,10,12,15H,9,11H2,1-3H3,(H,26,30)(H,27,31)
InChIKeyDLWUUWHOWJENBQ-UHFFFAOYSA-N
XLogP3.79
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxyphenyl)propanamide
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N-(4-acetamido-3-chlorophenyl)-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
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3-(1H-benzimidazol-2-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide
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3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-morpholin-4-ylphenyl)propanamide
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CID 86898251
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)-3-(2-methylphenyl)propanamide
CID 110778176
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CID 24618252
N-cyclopropyl-4-[3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanoylamino]benzamide
CID 24587179
N-[3-(difluoromethoxy)-4-methoxyphenyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)propanamide
CID 46530055
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
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3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The IUPAC name of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide (CID 17468095) is 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide.
What is the SMILES notation for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The canonical SMILES for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)Nc1ccc2c(c1)NC(=O)C(C)O2.
What is the InChIKey of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
The InChIKey is DLWUUWHOWJENBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-13-17(14(2)29-23(25-13)18-6-4-5-7-19(18)28-29)9-11-22(30)26-16-8-10-21-20(12-16)27-24(31)15(3)32-21/h4-8,10,12,15H,9,11H2,1-3H3,(H,26,30)(H,27,31).
What are the key properties of 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide?
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide has a molecular weight of 429.48 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanamide is sourced from PubChem (CID 17468095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).