1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone

C19H17F3N4O3 — CID 90468985

IUPAC1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone
SMILESO=C(Cn1cnc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)N1CC[C@H](O)C1
InChIInChI=1S/C19H17F3N4O3/c20-19(21,22)29-14-3-1-12(2-4-14)15-5-6-16-18(24-15)26(11-23-16)10-17(28)25-8-7-13(27)9-25/h1-6,11,13,27H,7-10H2/t13-/m0/s1
InChIKeyYYFCMMYQTNIGMS-ZDUSSCGKSA-N
MW406.36 g/mol
LogP2.59
Rot. Bonds4

About 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone

1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone (PubChem CID 90468985) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone
PubChem CID90468985
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone
SMILESO=C(Cn1cnc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)N1CC[C@H](O)C1
InChIInChI=1S/C19H17F3N4O3/c20-19(21,22)29-14-3-1-12(2-4-14)15-5-6-16-18(24-15)26(11-23-16)10-17(28)25-8-7-13(27)9-25/h1-6,11,13,27H,7-10H2/t13-/m0/s1
InChIKeyYYFCMMYQTNIGMS-ZDUSSCGKSA-N
XLogP2.59
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridin-5-yl]benzonitrile
CID 90469124
1-pyrrolidin-1-yl-2-[5-[4-(trifluoromethyl)phenoxy]imidazo[4,5-b]pyridin-3-yl]ethanone
CID 90469059
2-[5-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-cyclopentylacetamide
CID 90468984
2-(4-fluorophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]ethanone
CID 66291676
3-(benzimidazol-1-yl)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62918787
1-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 111561298
1-[(3aR,7aR)-2-(2H-benzotriazole-5-carbonyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-5-yl]-2-[4-(trifluoromethoxy)phenoxy]ethanone
CID 118270908
3-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 55131726
8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
CID 155338075
(3S)-3-hydroxy-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
CID 107224975
(3-hydroxypyrrolidin-1-yl)-[4-[4-(trifluoromethoxy)anilino]quinazolin-7-yl]methanone
CID 68627621
[(3R)-3-hydroxypyrrolidin-1-yl]-[2-[[6-(trifluoromethoxy)-3-pyridinyl]oxymethyl]-1,3-oxazol-4-yl]methanone
CID 176989676

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone?
The IUPAC name of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone (CID 90468985) is 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone is O=C(Cn1cnc2ccc(-c3ccc(OC(F)(F)F)cc3)nc21)N1CC[C@H](O)C1.
What is the InChIKey of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone?
The InChIKey is YYFCMMYQTNIGMS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c20-19(21,22)29-14-3-1-12(2-4-14)15-5-6-16-18(24-15)26(11-23-16)10-17(28)25-8-7-13(27)9-25/h1-6,11,13,27H,7-10H2/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone?
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone has a molecular weight of 406.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-[5-[4-(trifluoromethoxy)phenyl]imidazo[4,5-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 90468985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).