methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

C24H27N3O4 — CID 123580957

IUPACmethyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESC=C1CCOc2ccc(-c3c(C(OC(C)(C)C)C(=O)OC)c(C)nc4ccnn34)cc21
InChIInChI=1S/C24H27N3O4/c1-14-10-12-30-18-8-7-16(13-17(14)18)21-20(15(2)26-19-9-11-25-27(19)21)22(23(28)29-6)31-24(3,4)5/h7-9,11,13,22H,1,10,12H2,2-6H3
InChIKeyUZGGKCNDNAIPBN-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.53
Rot. Bonds4

About methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate

methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 123580957) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Namemethyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID123580957
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Namemethyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESC=C1CCOc2ccc(-c3c(C(OC(C)(C)C)C(=O)OC)c(C)nc4ccnn34)cc21
InChIInChI=1S/C24H27N3O4/c1-14-10-12-30-18-8-7-16(13-17(14)18)21-20(15(2)26-19-9-11-25-27(19)21)22(23(28)29-6)31-24(3,4)5/h7-9,11,13,22H,1,10,12H2,2-6H3
InChIKeyUZGGKCNDNAIPBN-UHFFFAOYSA-N
XLogP4.53
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate (CID 123580957) is methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is C=C1CCOc2ccc(-c3c(C(OC(C)(C)C)C(=O)OC)c(C)nc4ccnn34)cc21.
What is the InChIKey of methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is UZGGKCNDNAIPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-14-10-12-30-18-8-7-16(13-17(14)18)21-20(15(2)26-19-9-11-25-27(19)21)22(23(28)29-6)31-24(3,4)5/h7-9,11,13,22H,1,10,12H2,2-6H3.
What are the key properties of methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate?
methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 421.50 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-methyl-7-(4-methylidene-2,3-dihydrochromen-6-yl)pyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 123580957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).