2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide

C24H22F3N3O3 — CID 150371350

IUPAC2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide
SMILESCOCc1ccccc1C(=O)Nc1cnn2c1C(=O)C(c1ccc(C(F)(F)F)cc1)C[C@@H]2C
InChIInChI=1S/C24H22F3N3O3/c1-14-11-19(15-7-9-17(10-8-15)24(25,26)27)22(31)21-20(12-28-30(14)21)29-23(32)18-6-4-3-5-16(18)13-33-2/h3-10,12,14,19H,11,13H2,1-2H3,(H,29,32)/t14-,19?/m0/s1
InChIKeyGXUHGSJOPUILBW-KTQQKIMGSA-N
MW457.45 g/mol
LogP5.23
Rot. Bonds5

About 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide

2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide (PubChem CID 150371350) has the molecular formula C24H22F3N3O3 and a molecular weight of 457.45 g/mol. Its IUPAC name is 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide
PubChem CID150371350
Molecular FormulaC24H22F3N3O3
Molecular Weight457.45 g/mol
Exact Mass457.16
IUPAC Name2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide
SMILESCOCc1ccccc1C(=O)Nc1cnn2c1C(=O)C(c1ccc(C(F)(F)F)cc1)C[C@@H]2C
InChIInChI=1S/C24H22F3N3O3/c1-14-11-19(15-7-9-17(10-8-15)24(25,26)27)22(31)21-20(12-28-30(14)21)29-23(32)18-6-4-3-5-16(18)13-33-2/h3-10,12,14,19H,11,13H2,1-2H3,(H,29,32)/t14-,19?/m0/s1
InChIKeyGXUHGSJOPUILBW-KTQQKIMGSA-N
XLogP5.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-2-carboxamide
CID 151400946
(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 135369373
6-amino-N-[7-(methoxymethyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
CID 151812904
2-(methylamino)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693774
N-[(7S)-5-[3-chloro-4-(trifluoromethoxy)phenyl]-7-methyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
CID 151300976
2-fluoro-3-methoxy-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693712
N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693863
(7S)-3-(3-ethylimidazo[1,2-a]pyridin-6-yl)-7-methyl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-4-one
CID 151436546
N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693814
4-methyl-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]benzamide
CID 118693704
6-[[2-(methoxymethyl)benzoyl]amino]pyridine-3-carboxylic acid
CID 61317359
6-amino-N-[(7R)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]pyridine-3-carboxamide
CID 150634838

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide?
The IUPAC name of 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide (CID 150371350) is 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide?
The canonical SMILES for 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide is COCc1ccccc1C(=O)Nc1cnn2c1C(=O)C(c1ccc(C(F)(F)F)cc1)C[C@@H]2C.
What is the InChIKey of 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide?
The InChIKey is GXUHGSJOPUILBW-KTQQKIMGSA-N. The full InChI is InChI=1S/C24H22F3N3O3/c1-14-11-19(15-7-9-17(10-8-15)24(25,26)27)22(31)21-20(12-28-30(14)21)29-23(32)18-6-4-3-5-16(18)13-33-2/h3-10,12,14,19H,11,13H2,1-2H3,(H,29,32)/t14-,19?/m0/s1.
What are the key properties of 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide?
2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide has a molecular weight of 457.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-N-[(7S)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 150371350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).