N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride

C34H31ClN8O4 — CID 157339070

IUPACN-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride
SMILESCOc1cccc(CC(=O)Cl)c1.COc1cccc(CC(=O)Nc2ccn3c(-c4ccnc(N)n4)c(-c4cccc(C)n4)nc3n2)c1
InChIInChI=1S/C25H22N8O2.C9H9ClO2/c1-15-5-3-8-18(28-15)22-23(19-9-11-27-24(26)29-19)33-12-10-20(31-25(33)32-22)30-21(34)14-16-6-4-7-17(13-16)35-2;1-12-8-4-2-3-7(5-8)6-9(10)11/h3-13H,14H2,1-2H3,(H2,26,27,29)(H,30,31,32,34);2-5H,6H2,1H3
InChIKeyBGELACCOWXWHHY-UHFFFAOYSA-N
MW651.13 g/mol
LogP5.33
Rot. Bonds9

About N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride

N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride (PubChem CID 157339070) has the molecular formula C34H31ClN8O4 and a molecular weight of 651.13 g/mol. Its IUPAC name is N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride.

Molecular Properties

Compound NameN-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride
PubChem CID157339070
Molecular FormulaC34H31ClN8O4
Molecular Weight651.13 g/mol
Exact Mass650.22
IUPAC NameN-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride
SMILESCOc1cccc(CC(=O)Cl)c1.COc1cccc(CC(=O)Nc2ccn3c(-c4ccnc(N)n4)c(-c4cccc(C)n4)nc3n2)c1
InChIInChI=1S/C25H22N8O2.C9H9ClO2/c1-15-5-3-8-18(28-15)22-23(19-9-11-27-24(26)29-19)33-12-10-20(31-25(33)32-22)30-21(34)14-16-6-4-7-17(13-16)35-2;1-12-8-4-2-3-7(5-8)6-9(10)11/h3-13H,14H2,1-2H3,(H2,26,27,29)(H,30,31,32,34);2-5H,6H2,1H3
InChIKeyBGELACCOWXWHHY-UHFFFAOYSA-N
XLogP5.33
TPSA159.51 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500651.13
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminopyrimidin-4-yl)-N',N'-dimethyl-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridine-7-carbohydrazide
CID 10249673
acetamide;2-(3-methoxyphenyl)acetyl chloride
CID 158389550
N-(2-amino-6-chlorophenyl)-2-(3-methoxyphenyl)acetamide
CID 62085333
2-(3-methoxyphenyl)-N-[4-(2-methyl-4-pyridinyl)thiophen-2-yl]acetamide
CID 24831039
N-(4-amino-2,5-dimethylphenyl)-2-(3-methoxyphenyl)acetamide
CID 103144419
N-(6-chloro-5-methyl-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 103730431
N-(4-methylpyrimidin-2-yl)-2-(3-propan-2-yloxyphenyl)acetamide
CID 99842142
2-(3-methoxyphenyl)-N-[(1R)-2-methyl-1-(1-methylimidazol-2-yl)propyl]acetamide
CID 125164841
N-(5-ethyl-1H-pyrazol-3-yl)-2-(3-methoxyphenyl)acetamide
CID 47423285
N-(6-amino-3-pyridinyl)-2-(3-methoxyphenyl)acetamide
CID 62899176
2-(3-methoxyphenyl)-N-(4-pyrazol-1-ylphenyl)acetamide
CID 31907046
N-[(1R,2S,3R,4R)-2,3-dihydroxy-4-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]-2-(3-methoxyphenyl)acetamide
CID 75529512

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride?
The IUPAC name of N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride (CID 157339070) is N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride.
What is the SMILES notation for N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride?
The canonical SMILES for N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride is COc1cccc(CC(=O)Cl)c1.COc1cccc(CC(=O)Nc2ccn3c(-c4ccnc(N)n4)c(-c4cccc(C)n4)nc3n2)c1.
What is the InChIKey of N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride?
The InChIKey is BGELACCOWXWHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N8O2.C9H9ClO2/c1-15-5-3-8-18(28-15)22-23(19-9-11-27-24(26)29-19)33-12-10-20(31-25(33)32-22)30-21(34)14-16-6-4-7-17(13-16)35-2;1-12-8-4-2-3-7(5-8)6-9(10)11/h3-13H,14H2,1-2H3,(H2,26,27,29)(H,30,31,32,34);2-5H,6H2,1H3.
What are the key properties of N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride?
N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride has a molecular weight of 651.13 g/mol, XLogP of 5.33, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminopyrimidin-4-yl)-2-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyrimidin-7-yl]-2-(3-methoxyphenyl)acetamide;2-(3-methoxyphenyl)acetyl chloride is sourced from PubChem (CID 157339070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).