methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate

C41H39BrN8O6 — CID 165064855

IUPACmethyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C)c4C)c3c2)oc1Br.COC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C)c4C)c3c2)oc1C1CC1
InChIInChI=1S/C22H22N4O3.C19H17BrN4O3/c1-12-20(13(2)25(3)24-12)17-11-23-26-8-7-15(9-18(17)26)19-10-16(22(27)28-4)21(29-19)14-5-6-14;1-10-17(11(2)23(3)22-10)14-9-21-24-6-5-12(7-15(14)24)16-8-13(18(20)27-16)19(25)26-4/h7-11,14H,5-6H2,1-4H3;5-9H,1-4H3
InChIKeyRUJFXKOZZVYDGR-UHFFFAOYSA-N
MW819.72 g/mol
LogP8.44
Rot. Bonds7

About methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate

methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (PubChem CID 165064855) has the molecular formula C41H39BrN8O6 and a molecular weight of 819.72 g/mol. Its IUPAC name is methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
PubChem CID165064855
Molecular FormulaC41H39BrN8O6
Molecular Weight819.72 g/mol
Exact Mass818.22
IUPAC Namemethyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C)c4C)c3c2)oc1Br.COC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C)c4C)c3c2)oc1C1CC1
InChIInChI=1S/C22H22N4O3.C19H17BrN4O3/c1-12-20(13(2)25(3)24-12)17-11-23-26-8-7-15(9-18(17)26)19-10-16(22(27)28-4)21(29-19)14-5-6-14;1-10-17(11(2)23(3)22-10)14-9-21-24-6-5-12(7-15(14)24)16-8-13(18(20)27-16)19(25)26-4/h7-11,14H,5-6H2,1-4H3;5-9H,1-4H3
InChIKeyRUJFXKOZZVYDGR-UHFFFAOYSA-N
XLogP8.44
TPSA149.12 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500819.72
LogP ≤ 58.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The IUPAC name of methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate (CID 165064855) is methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The canonical SMILES for methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is COC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C)c4C)c3c2)oc1Br.COC(=O)c1cc(-c2ccn3ncc(-c4c(C)nn(C)c4C)c3c2)oc1C1CC1.
What is the InChIKey of methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
The InChIKey is RUJFXKOZZVYDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3.C19H17BrN4O3/c1-12-20(13(2)25(3)24-12)17-11-23-26-8-7-15(9-18(17)26)19-10-16(22(27)28-4)21(29-19)14-5-6-14;1-10-17(11(2)23(3)22-10)14-9-21-24-6-5-12(7-15(14)24)16-8-13(18(20)27-16)19(25)26-4/h7-11,14H,5-6H2,1-4H3;5-9H,1-4H3.
What are the key properties of methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate?
methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate has a molecular weight of 819.72 g/mol, XLogP of 8.44, 7 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-bromo-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate;methyl 2-cyclopropyl-5-[3-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-5-yl]furan-3-carboxylate is sourced from PubChem (CID 165064855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).