methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate

C25H22F3N3O4 — CID 10254797

IUPACmethyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1
InChIInChI=1S/C25H22F3N3O4/c1-34-18-9-7-17(8-10-18)31-20-19(21(29-31)25(26,27)28)11-14-30(22(20)32)16-5-3-15(4-6-16)24(12-13-24)23(33)35-2/h3-10H,11-14H2,1-2H3
InChIKeyILNQEVMDABDGHR-UHFFFAOYSA-N
MW485.46 g/mol
LogP4.31
Rot. Bonds5

About methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate

methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate (PubChem CID 10254797) has the molecular formula C25H22F3N3O4 and a molecular weight of 485.46 g/mol. Its IUPAC name is methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate
PubChem CID10254797
Molecular FormulaC25H22F3N3O4
Molecular Weight485.46 g/mol
Exact Mass485.16
IUPAC Namemethyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1
InChIInChI=1S/C25H22F3N3O4/c1-34-18-9-7-17(8-10-18)31-20-19(21(29-31)25(26,27)28)11-14-30(22(20)32)16-5-3-15(4-6-16)24(12-13-24)23(33)35-2/h3-10H,11-14H2,1-2H3
InChIKeyILNQEVMDABDGHR-UHFFFAOYSA-N
XLogP4.31
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate (CID 10254797) is methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate is COC(=O)C1(c2ccc(N3CCc4c(C(F)(F)F)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1.
What is the InChIKey of methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate?
The InChIKey is ILNQEVMDABDGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O4/c1-34-18-9-7-17(8-10-18)31-20-19(21(29-31)25(26,27)28)11-14-30(22(20)32)16-5-3-15(4-6-16)24(12-13-24)23(33)35-2/h3-10H,11-14H2,1-2H3.
What are the key properties of methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate?
methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate has a molecular weight of 485.46 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 10254797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).