5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

C23H25F3N4O4 — CID 178187947

IUPAC5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOCCN1CC(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C23H25F3N4O4/c1-33-12-11-29-13-18(21(31)27-15-7-9-17(10-8-15)34-23(24,25)26)20-19(14-29)22(32)30(28-20)16-5-3-2-4-6-16/h2-10,18-20,28H,11-14H2,1H3,(H,27,31)
InChIKeyZMNDUZSPDBFMEH-UHFFFAOYSA-N
MW478.47 g/mol
LogP2.64
Rot. Bonds7

About 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide

5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 178187947) has the molecular formula C23H25F3N4O4 and a molecular weight of 478.47 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID178187947
Molecular FormulaC23H25F3N4O4
Molecular Weight478.47 g/mol
Exact Mass478.18
IUPAC Name5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCOCCN1CC(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2NN(c3ccccc3)C(=O)C2C1
InChIInChI=1S/C23H25F3N4O4/c1-33-12-11-29-13-18(21(31)27-15-7-9-17(10-8-15)34-23(24,25)26)20-19(14-29)22(32)30(28-20)16-5-3-2-4-6-16/h2-10,18-20,28H,11-14H2,1H3,(H,27,31)
InChIKeyZMNDUZSPDBFMEH-UHFFFAOYSA-N
XLogP2.64
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.47
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide with MolForge

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Related Compounds

methyl 4-[(5-ethyl-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carbonyl)amino]benzoate
CID 178187270
3-oxo-2-phenyl-N-(4-propan-2-ylphenyl)-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178186755
5-(3-methoxypropyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-oxo-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178188089
7-(2,3-dihydroindole-1-carbonyl)-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187345
7-[4-[(2-fluorophenyl)methyl]piperazine-1-carbonyl]-5-(2-methoxyethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187334
N-(2,2-dimethoxyethyl)-3-oxo-2-phenyl-5-propyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187728
(1S,5S,6S)-3-(2-methoxyethyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 134690098
(1S,5R,6R)-3-(2-methoxyethyl)-N-phenyl-8-oxa-3-azabicyclo[3.2.1]octane-6-carboxamide
CID 133141250
N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 110627179
5-ethyl-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178187173
N-[2-(4-methoxyphenyl)ethyl]-3-oxo-5-(oxolan-2-ylmethyl)-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide
CID 178187122
7-(4-acetylpiperazine-1-carbonyl)-5-ethyl-2-phenyl-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridin-3-one
CID 178188124

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide (CID 178187947) is 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is COCCN1CC(C(=O)Nc2ccc(OC(F)(F)F)cc2)C2NN(c3ccccc3)C(=O)C2C1.
What is the InChIKey of 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is ZMNDUZSPDBFMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N4O4/c1-33-12-11-29-13-18(21(31)27-15-7-9-17(10-8-15)34-23(24,25)26)20-19(14-29)22(32)30(28-20)16-5-3-2-4-6-16/h2-10,18-20,28H,11-14H2,1H3,(H,27,31).
What are the key properties of 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide?
5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 478.47 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-3-oxo-2-phenyl-N-[4-(trifluoromethoxy)phenyl]-1,3a,4,6,7,7a-hexahydropyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 178187947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).