6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C25H22F3N3O3 — CID 10389930

IUPAC6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(C)=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C25H22F3N3O3/c1-15(32)24(12-13-24)16-3-5-17(6-4-16)30-14-11-20-21(23(30)33)31(29-22(20)25(26,27)28)18-7-9-19(34-2)10-8-18/h3-10H,11-14H2,1-2H3
InChIKeyRBSHEHIFNTZEKI-UHFFFAOYSA-N
MW469.46 g/mol
LogP4.72
Rot. Bonds5

About 6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 10389930) has the molecular formula C25H22F3N3O3 and a molecular weight of 469.46 g/mol. Its IUPAC name is 6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound Name6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID10389930
Molecular FormulaC25H22F3N3O3
Molecular Weight469.46 g/mol
Exact Mass469.16
IUPAC Name6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(C)=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C25H22F3N3O3/c1-15(32)24(12-13-24)16-3-5-17(6-4-16)30-14-11-20-21(23(30)33)31(29-22(20)25(26,27)28)18-7-9-19(34-2)10-8-18/h3-10H,11-14H2,1-2H3
InChIKeyRBSHEHIFNTZEKI-UHFFFAOYSA-N
XLogP4.72
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of 6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 10389930) is 6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for 6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for 6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C(C)=O)CC4)cc2)CC3)cc1.
What is the InChIKey of 6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is RBSHEHIFNTZEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O3/c1-15(32)24(12-13-24)16-3-5-17(6-4-16)30-14-11-20-21(23(30)33)31(29-22(20)25(26,27)28)18-7-9-19(34-2)10-8-18/h3-10H,11-14H2,1-2H3.
What are the key properties of 6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 469.46 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-acetylcyclopropyl)phenyl]-1-(4-methoxyphenyl)-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 10389930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).