3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine

C18H17N5O — CID 11978219

IUPAC3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(Cc2cnc3ncc(-c4cnn(C)c4)cn23)cc1
InChIInChI=1S/C18H17N5O/c1-22-11-15(9-21-22)14-8-19-18-20-10-16(23(18)12-14)7-13-3-5-17(24-2)6-4-13/h3-6,8-12H,7H2,1-2H3
InChIKeyXJLGWTYCGYXLBF-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.73
Rot. Bonds4

About 3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine

3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine (PubChem CID 11978219) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
PubChem CID11978219
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(Cc2cnc3ncc(-c4cnn(C)c4)cn23)cc1
InChIInChI=1S/C18H17N5O/c1-22-11-15(9-21-22)14-8-19-18-20-10-16(23(18)12-14)7-13-3-5-17(24-2)6-4-13/h3-6,8-12H,7H2,1-2H3
InChIKeyXJLGWTYCGYXLBF-UHFFFAOYSA-N
XLogP2.73
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methoxyphenyl)-1-methylpyrazole
CID 4101323
6-bromo-3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridine
CID 129053983
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
CID 170591109
4-[2-(4-methoxyphenyl)ethoxy]-1-methylpyrazole
CID 116794086
1-[(6-methoxyimidazo[1,2-a]pyridin-3-yl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 121339284
6-(4-methoxyphenyl)-3-[4-(2-methylpropyl)phenyl]-[1,2,4]triazolo[4,3-a]pyrimidine
CID 53258366
3-[[4-methoxy-5-[(4-methoxyphenyl)methoxy]-2-pyridinyl]methoxy]-5-(1-methylpyrazol-4-yl)pyrazin-2-amine
CID 46870016
N-methyl-1-[4-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 61033287
2-amino-N-cyclopentyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;(4-methoxyphenyl)methanol
CID 145269463
1-[2-(4-methoxyphenyl)ethyl]-3-[2-[5-(1-methylpyrazol-4-yl)thiophen-2-yl]ethyl]urea
CID 155801272
3-(4-methoxyphenyl)-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43124177
1-(3-chloropropyl)-4-(4-methoxyphenyl)pyrazole
CID 22715717

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine (CID 11978219) is 3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine is COc1ccc(Cc2cnc3ncc(-c4cnn(C)c4)cn23)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
The InChIKey is XJLGWTYCGYXLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-22-11-15(9-21-22)14-8-19-18-20-10-16(23(18)12-14)7-13-3-5-17(24-2)6-4-13/h3-6,8-12H,7H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine?
3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine has a molecular weight of 319.37 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 11978219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).