2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide

C25H23F3N4O3 — CID 44581326

IUPAC2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CC(N)=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C25H23F3N4O3/c1-35-18-8-6-17(7-9-18)32-21-19(22(30-32)25(26,27)28)10-13-31(23(21)34)16-4-2-15(3-5-16)24(11-12-24)14-20(29)33/h2-9H,10-14H2,1H3,(H2,29,33)
InChIKeyDLDUFCSSPIXLKT-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.01
Rot. Bonds6

About 2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide

2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide (PubChem CID 44581326) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide.

Molecular Properties

Compound Name2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide
PubChem CID44581326
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CC(N)=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C25H23F3N4O3/c1-35-18-8-6-17(7-9-18)32-21-19(22(30-32)25(26,27)28)10-13-31(23(21)34)16-4-2-15(3-5-16)24(11-12-24)14-20(29)33/h2-9H,10-14H2,1H3,(H2,29,33)
InChIKeyDLDUFCSSPIXLKT-UHFFFAOYSA-N
XLogP4.01
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide?
The IUPAC name of 2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide (CID 44581326) is 2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide.
What is the SMILES notation for 2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide?
The canonical SMILES for 2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CC(N)=O)CC4)cc2)CC3)cc1.
What is the InChIKey of 2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide?
The InChIKey is DLDUFCSSPIXLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-35-18-8-6-17(7-9-18)32-21-19(22(30-32)25(26,27)28)10-13-31(23(21)34)16-4-2-15(3-5-16)24(11-12-24)14-20(29)33/h2-9H,10-14H2,1H3,(H2,29,33).
What are the key properties of 2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide?
2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide has a molecular weight of 484.48 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide is sourced from PubChem (CID 44581326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).