N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

C22H20N4O3 — CID 5075291

IUPACN-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1
InChIInChI=1S/C22H20N4O3/c1-13-12-20(28)24-21-18-6-4-5-7-19(18)26(25(13)21)14(2)22(29)23-17-10-8-16(9-11-17)15(3)27/h4-12,14H,1-3H3,(H,23,29)
InChIKeyRILHDUBKNQGZLB-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.36
Rot. Bonds4

About N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 5075291) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID5075291
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCC(=O)c1ccc(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1
InChIInChI=1S/C22H20N4O3/c1-13-12-20(28)24-21-18-6-4-5-7-19(18)26(25(13)21)14(2)22(29)23-17-10-8-16(9-11-17)15(3)27/h4-12,14H,1-3H3,(H,23,29)
InChIKeyRILHDUBKNQGZLB-UHFFFAOYSA-N
XLogP3.36
TPSA85.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 5075291) is N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is CC(=O)c1ccc(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is RILHDUBKNQGZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13-12-20(28)24-21-18-6-4-5-7-19(18)26(25(13)21)14(2)22(29)23-17-10-8-16(9-11-17)15(3)27/h4-12,14H,1-3H3,(H,23,29).
What are the key properties of N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 388.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 5075291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).