N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

C21H20N4O3 — CID 5075295

IUPACN-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCOc1cccc(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)c1
InChIInChI=1S/C21H20N4O3/c1-13-11-19(26)23-20-17-9-4-5-10-18(17)25(24(13)20)14(2)21(27)22-15-7-6-8-16(12-15)28-3/h4-12,14H,1-3H3,(H,22,27)
InChIKeyWTRITTFEQGVDJZ-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.17
Rot. Bonds4

About N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide

N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (PubChem CID 5075295) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
PubChem CID5075295
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
SMILESCOc1cccc(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)c1
InChIInChI=1S/C21H20N4O3/c1-13-11-19(26)23-20-17-9-4-5-10-18(17)25(24(13)20)14(2)21(27)22-15-7-6-8-16(12-15)28-3/h4-12,14H,1-3H3,(H,22,27)
InChIKeyWTRITTFEQGVDJZ-UHFFFAOYSA-N
XLogP3.17
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-propylpropanamide
CID 3453487
(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide
CID 95118182
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 92678667
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 90517885
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303
(2S)-N-(3-methoxyphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 9360732
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
1-(3-methoxyphenyl)-3-(2-propan-2-ylphenyl)urea
CID 99129467

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide (CID 5075295) is N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is COc1cccc(NC(=O)C(C)n2c3ccccc3c3nc(=O)cc(C)n32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
The InChIKey is WTRITTFEQGVDJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-13-11-19(26)23-20-17-9-4-5-10-18(17)25(24(13)20)14(2)21(27)22-15-7-6-8-16(12-15)28-3/h4-12,14H,1-3H3,(H,22,27).
What are the key properties of N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide?
N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide has a molecular weight of 376.42 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide is sourced from PubChem (CID 5075295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).