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

C25H23F3N4O3 — CID 44581556

IUPACN-[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(NC(C)=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C25H23F3N4O3/c1-15(33)29-24(12-13-24)16-3-5-17(6-4-16)31-14-11-20-21(23(31)34)32(30-22(20)25(26,27)28)18-7-9-19(35-2)10-8-18/h3-10H,11-14H2,1-2H3,(H,29,33)
InChIKeyDUQDIJYTIQADGM-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.23
Rot. Bonds5

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

N-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide (PubChem CID 44581556) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide.

Molecular Properties

Compound NameN-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide
PubChem CID44581556
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC NameN-[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(NC(C)=O)CC4)cc2)CC3)cc1
InChIInChI=1S/C25H23F3N4O3/c1-15(33)29-24(12-13-24)16-3-5-17(6-4-16)31-14-11-20-21(23(31)34)32(30-22(20)25(26,27)28)18-7-9-19(35-2)10-8-18/h3-10H,11-14H2,1-2H3,(H,29,33)
InChIKeyDUQDIJYTIQADGM-UHFFFAOYSA-N
XLogP4.23
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[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 N-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide (CID 44581556) is N-[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 N-[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 N-[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(NC(C)=O)CC4)cc2)CC3)cc1.
What is the InChIKey of N-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide?
The InChIKey is DUQDIJYTIQADGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-15(33)29-24(12-13-24)16-3-5-17(6-4-16)31-14-11-20-21(23(31)34)32(30-22(20)25(26,27)28)18-7-9-19(35-2)10-8-18/h3-10H,11-14H2,1-2H3,(H,29,33).
What are the key properties of N-[1-[4-[1-(4-methoxyphenyl)-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]cyclopropyl]acetamide?
N-[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 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[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 44581556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).