methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate

C21H24N4O4 — CID 20806107

IUPACmethyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)CC1
InChIInChI=1S/C21H24N4O4/c1-27-17-5-4-15(12-18(17)28-2)16-13-19-22-8-11-25(19)21(23-16)24-9-6-14(7-10-24)20(26)29-3/h4-5,8,11-14H,6-7,9-10H2,1-3H3
InChIKeyZSLRGVKYTARLJB-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.80
Rot. Bonds5

About methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate

methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate (PubChem CID 20806107) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate
PubChem CID20806107
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Namemethyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(c2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)CC1
InChIInChI=1S/C21H24N4O4/c1-27-17-5-4-15(12-18(17)28-2)16-13-19-22-8-11-25(19)21(23-16)24-9-6-14(7-10-24)20(26)29-3/h4-5,8,11-14H,6-7,9-10H2,1-3H3
InChIKeyZSLRGVKYTARLJB-UHFFFAOYSA-N
XLogP2.80
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-(3,4-dimethoxyphenyl)-5-[4-(4-methylphenyl)piperazin-1-yl]imidazo[1,2-c]pyrimidine
CID 20805928
5-[4-(4-chlorophenyl)piperazin-1-yl]-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidine
CID 20805768
2-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]sulfanylacetic acid
CID 20805767
5-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]-2-methoxyphenol
CID 20806083
3-[4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylphenyl]-N,N-dimethylpropanamide
CID 20805860
N-(3,5-difluorophenyl)-7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-amine
CID 20806138
4-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]sulfanylaniline
CID 20806044
methyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981204
[4-(5-ethylsulfanylimidazo[1,2-c]pyrimidin-7-yl)-2-methoxyphenyl] 2-methylpropanoate
CID 20805884
methyl 3-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]-2,2-dimethylpropanoate
CID 20806116
4-(3,4-dimethoxyphenyl)-6-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine
CID 2854346
2-[4-[[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]amino]phenyl]sulfonylguanidine
CID 20805716

Frequently Asked Questions

What is the IUPAC name of methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate (CID 20806107) is methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate is COC(=O)C1CCN(c2nc(-c3ccc(OC)c(OC)c3)cc3nccn23)CC1.
What is the InChIKey of methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate?
The InChIKey is ZSLRGVKYTARLJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-27-17-5-4-15(12-18(17)28-2)16-13-19-22-8-11-25(19)21(23-16)24-9-6-14(7-10-24)20(26)29-3/h4-5,8,11-14H,6-7,9-10H2,1-3H3.
What are the key properties of methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate?
methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate has a molecular weight of 396.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[7-(3,4-dimethoxyphenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidine-4-carboxylate is sourced from PubChem (CID 20806107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).