ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate

C25H28N6O4 — CID 135381908

IUPACethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2nc(-n3ccnc3)nc(OCc3ccc(OC)cc3)c2C(C)C)cn1
InChIInChI=1S/C25H28N6O4/c1-5-34-21(32)14-31-13-19(12-27-31)23-22(17(2)3)24(29-25(28-23)30-11-10-26-16-30)35-15-18-6-8-20(33-4)9-7-18/h6-13,16-17H,5,14-15H2,1-4H3
InChIKeyUTGOHMNDAZUHSL-UHFFFAOYSA-N
MW476.54 g/mol
LogP3.80
Rot. Bonds10

About ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate

ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate (PubChem CID 135381908) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate
PubChem CID135381908
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC Nameethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(-c2nc(-n3ccnc3)nc(OCc3ccc(OC)cc3)c2C(C)C)cn1
InChIInChI=1S/C25H28N6O4/c1-5-34-21(32)14-31-13-19(12-27-31)23-22(17(2)3)24(29-25(28-23)30-11-10-26-16-30)35-15-18-6-8-20(33-4)9-7-18/h6-13,16-17H,5,14-15H2,1-4H3
InChIKeyUTGOHMNDAZUHSL-UHFFFAOYSA-N
XLogP3.80
TPSA106.18 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate with MolForge

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Related Compounds

(4-methoxyphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61285978
2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid
CID 157067318
lithium;2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetic acid;methyl 2-(2-imidazol-1-yl-6-methyl-5-propan-2-ylpyrimidin-4-yl)oxyacetate;hydroxide
CID 160848158
ethyl 2-[4-(3-propan-2-ylphenyl)pyrazol-1-yl]acetate
CID 123549077
(4-methoxyphenyl)methyl imidazole-1-carboxylate
CID 58630007
(4-propan-2-ylphenyl)methyl 2-(4-aminopyrazol-1-yl)acetate
CID 61316942
(4S)-1-(4-imidazol-1-ylphenyl)-4-(5-methoxy-2-pyridinyl)pentan-2-one
CID 58255261
ethyl 2-[4-(4-methoxyphenyl)triazol-1-yl]acetate
CID 135563871
ethyl 2-[4-(2-formyl-3-phenylmethoxyphenyl)pyrazol-1-yl]acetate
CID 172993917
benzyl 2-(4-methylpyrazol-1-yl)acetate
CID 121256178
ethyl 2,3-dihydroxy-3-(2-imidazol-1-ylpyrimidin-5-yl)propanoate
CID 171866849
4-chloro-2,6-bis[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidine
CID 59184713

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate (CID 135381908) is ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate is CCOC(=O)Cn1cc(-c2nc(-n3ccnc3)nc(OCc3ccc(OC)cc3)c2C(C)C)cn1.
What is the InChIKey of ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate?
The InChIKey is UTGOHMNDAZUHSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O4/c1-5-34-21(32)14-31-13-19(12-27-31)23-22(17(2)3)24(29-25(28-23)30-11-10-26-16-30)35-15-18-6-8-20(33-4)9-7-18/h6-13,16-17H,5,14-15H2,1-4H3.
What are the key properties of ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate?
ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate has a molecular weight of 476.54 g/mol, XLogP of 3.80, 10 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-imidazol-1-yl-6-[(4-methoxyphenyl)methoxy]-5-propan-2-ylpyrimidin-4-yl]pyrazol-1-yl]acetate is sourced from PubChem (CID 135381908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).