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

C19H18ClF3N4O3 — CID 94079313

IUPAC(2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C(F)(F)F)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H18ClF3N4O3/c1-9-16-12(19(21,22)23)8-15(25-17(16)27(3)26-9)30-10(2)18(28)24-13-7-11(20)5-6-14(13)29-4/h5-8,10H,1-4H3,(H,24,28)/t10-/m1/s1
InChIKeyWITBWLCCDHKNAJ-SNVBAGLBSA-N
MW442.83 g/mol
LogP4.36
Rot. Bonds5

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

(2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide (PubChem CID 94079313) has the molecular formula C19H18ClF3N4O3 and a molecular weight of 442.83 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
PubChem CID94079313
Molecular FormulaC19H18ClF3N4O3
Molecular Weight442.83 g/mol
Exact Mass442.10
IUPAC Name(2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
SMILESCOc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C(F)(F)F)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H18ClF3N4O3/c1-9-16-12(19(21,22)23)8-15(25-17(16)27(3)26-9)30-10(2)18(28)24-13-7-11(20)5-6-14(13)29-4/h5-8,10H,1-4H3,(H,24,28)/t10-/m1/s1
InChIKeyWITBWLCCDHKNAJ-SNVBAGLBSA-N
XLogP4.36
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.83
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079309
(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-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079336
N-(2,5-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 50791276
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)propanamide
CID 1222422
(2R)-N-(2,4-dimethoxyphenyl)-2-(1,3-dimethyl-4-phenylpyrazolo[5,4-b]pyridin-6-yl)oxypropanamide
CID 94079112
N-(4-acetamidophenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791465
N-(5-chloro-2-methoxyphenyl)-2-(3,5-dimethylphenoxy)propanamide
CID 17341494
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
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)propanamide
CID 3318555

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
The IUPAC name of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide (CID 94079313) is (2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
The canonical SMILES for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide is COc1ccc(Cl)cc1NC(=O)[C@@H](C)Oc1cc(C(F)(F)F)c2c(C)nn(C)c2n1.
What is the InChIKey of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
The InChIKey is WITBWLCCDHKNAJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C19H18ClF3N4O3/c1-9-16-12(19(21,22)23)8-15(25-17(16)27(3)26-9)30-10(2)18(28)24-13-7-11(20)5-6-14(13)29-4/h5-8,10H,1-4H3,(H,24,28)/t10-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide has a molecular weight of 442.83 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2-methoxyphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide is sourced from PubChem (CID 94079313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).