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

C24H26N4O5 — CID 3612650

IUPAC2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)c(OC)c1OC
InChIInChI=1S/C24H26N4O5/c1-15-13-20(29)26-24-17-7-5-6-8-18(17)27(28(15)24)14-21(30)25-12-11-16-9-10-19(31-2)23(33-4)22(16)32-3/h5-10,13H,11-12,14H2,1-4H3,(H,25,30)
InChIKeyRKAHUUFAXWTQTM-UHFFFAOYSA-N
MW450.50 g/mol
LogP2.34
Rot. Bonds8

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

2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide (PubChem CID 3612650) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
PubChem CID3612650
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)c(OC)c1OC
InChIInChI=1S/C24H26N4O5/c1-15-13-20(29)26-24-17-7-5-6-8-18(17)27(28(15)24)14-21(30)25-12-11-16-9-10-19(31-2)23(33-4)22(16)32-3/h5-10,13H,11-12,14H2,1-4H3,(H,25,30)
InChIKeyRKAHUUFAXWTQTM-UHFFFAOYSA-N
XLogP2.34
TPSA96.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 5072346
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-(pyridin-3-ylmethyl)acetamide
CID 5068847
N-[3-[cyclohexyl(methyl)amino]propyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 3605338
benzyl-[3-[[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetyl]amino]propyl]-propan-2-ylazanium
CID 3605519
N-(5-chloro-2-methylphenyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 5068853
butan-2-yl-cyclohexyl-[2-[[2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetyl]amino]ethyl]azanium
CID 3612648
N-(4-methylcyclohexyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)acetamide
CID 3257818
2-(8,9-dimethoxy-4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[(4-propoxyphenyl)methyl]acetamide
CID 4249781
N-[2-(4-methoxynaphthalen-1-yl)ethyl]butanamide
CID 163994355
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 92678667
2-(5,7-dimethyl-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide
CID 20863744
N-(3-methoxypropyl)-2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)propanamide
CID 5083539

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide (CID 3612650) is 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)Cn2c3ccccc3c3nc(=O)cc(C)n32)c(OC)c1OC.
What is the InChIKey of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide?
The InChIKey is RKAHUUFAXWTQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-15-13-20(29)26-24-17-7-5-6-8-18(17)27(28(15)24)14-21(30)25-12-11-16-9-10-19(31-2)23(33-4)22(16)32-3/h5-10,13H,11-12,14H2,1-4H3,(H,25,30).
What are the key properties of 2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide?
2-(4-methyl-2-oxopyrimido[1,2-b]indazol-6-yl)-N-[2-(2,3,4-trimethoxyphenyl)ethyl]acetamide has a molecular weight of 450.50 g/mol, XLogP of 2.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 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-(2,3,4-trimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 3612650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).