methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate

C26H25ClN4O3 — CID 66964219

IUPACmethyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C26H25ClN4O3/c1-26(15-18-7-5-4-6-8-18,25(33)30(2)17-23(32)34-3)22-13-14-28-24-21(16-29-31(22)24)19-9-11-20(27)12-10-19/h4-14,16H,15,17H2,1-3H3
InChIKeyWZHIPSTUHDARIS-UHFFFAOYSA-N
MW476.96 g/mol
LogP4.18
Rot. Bonds7

About methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate

methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate (PubChem CID 66964219) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate
PubChem CID66964219
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Namemethyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)C(C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12
InChIInChI=1S/C26H25ClN4O3/c1-26(15-18-7-5-4-6-8-18,25(33)30(2)17-23(32)34-3)22-13-14-28-24-21(16-29-31(22)24)19-9-11-20(27)12-10-19/h4-14,16H,15,17H2,1-3H3
InChIKeyWZHIPSTUHDARIS-UHFFFAOYSA-N
XLogP4.18
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate (CID 66964219) is methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate is COC(=O)CN(C)C(=O)C(C)(Cc1ccccc1)c1ccnc2c(-c3ccc(Cl)cc3)cnn12.
What is the InChIKey of methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate?
The InChIKey is WZHIPSTUHDARIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-26(15-18-7-5-4-6-8-18,25(33)30(2)17-23(32)34-3)22-13-14-28-24-21(16-29-31(22)24)19-9-11-20(27)12-10-19/h4-14,16H,15,17H2,1-3H3.
What are the key properties of methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate?
methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate has a molecular weight of 476.96 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-methyl-3-phenylpropanoyl]-methylamino]acetate is sourced from PubChem (CID 66964219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).