(2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide

C20H21F3N4O2 — CID 94079309

IUPAC(2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c(C)c1
InChIInChI=1S/C20H21F3N4O2/c1-10-6-7-15(11(2)8-10)24-19(28)13(4)29-16-9-14(20(21,22)23)17-12(3)26-27(5)18(17)25-16/h6-9,13H,1-5H3,(H,24,28)/t13-/m0/s1
InChIKeyQOLJTWQSSHMEAX-ZDUSSCGKSA-N
MW406.41 g/mol
LogP4.32
Rot. Bonds4

About (2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide

(2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide (PubChem CID 94079309) has the molecular formula C20H21F3N4O2 and a molecular weight of 406.41 g/mol. Its IUPAC name is (2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide.

Molecular Properties

Compound Name(2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
PubChem CID94079309
Molecular FormulaC20H21F3N4O2
Molecular Weight406.41 g/mol
Exact Mass406.16
IUPAC Name(2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
SMILESCc1ccc(NC(=O)[C@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c(C)c1
InChIInChI=1S/C20H21F3N4O2/c1-10-6-7-15(11(2)8-10)24-19(28)13(4)29-16-9-14(20(21,22)23)17-12(3)26-27(5)18(17)25-16/h6-9,13H,1-5H3,(H,24,28)/t13-/m0/s1
InChIKeyQOLJTWQSSHMEAX-ZDUSSCGKSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.41
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079337
(2S)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-propan-2-ylphenyl)propanamide
CID 94079374
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079313
(2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079336
N-[(4-chlorophenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 50791423
N-(2,5-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791248
(2R)-N-(2,4-dimethylphenyl)-2-(3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079048
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methylphenyl)acetamide
CID 50791546
(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-1-one
CID 94079386
(2S)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxy-N-(2-ethylphenyl)propanamide
CID 94079122
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropan-1-one
CID 94079268
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079120

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
The IUPAC name of (2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide (CID 94079309) is (2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide.
What is the SMILES notation for (2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
The canonical SMILES for (2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide is Cc1ccc(NC(=O)[C@H](C)Oc2cc(C(F)(F)F)c3c(C)nn(C)c3n2)c(C)c1.
What is the InChIKey of (2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
The InChIKey is QOLJTWQSSHMEAX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21F3N4O2/c1-10-6-7-15(11(2)8-10)24-19(28)13(4)29-16-9-14(20(21,22)23)17-12(3)26-27(5)18(17)25-16/h6-9,13H,1-5H3,(H,24,28)/t13-/m0/s1.
What are the key properties of (2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
(2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide has a molecular weight of 406.41 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide is sourced from PubChem (CID 94079309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).