4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

C19H18F3N5O2S — CID 123688156

IUPAC4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1nc(-c2cnc(C(F)(F)F)s2)cc2ncn(C3CC3)c12)C1CNC(=O)C1
InChIInChI=1S/C19H18F3N5O2S/c1-9(10-4-15(28)23-6-10)29-17-16-13(25-8-27(16)11-2-3-11)5-12(26-17)14-7-24-18(30-14)19(20,21)22/h5,7-11H,2-4,6H2,1H3,(H,23,28)
InChIKeySRQWNUUGHSASQW-UHFFFAOYSA-N
MW437.45 g/mol
LogP3.81
Rot. Bonds5

About 4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one

4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (PubChem CID 123688156) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is 4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
PubChem CID123688156
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
SMILESCC(Oc1nc(-c2cnc(C(F)(F)F)s2)cc2ncn(C3CC3)c12)C1CNC(=O)C1
InChIInChI=1S/C19H18F3N5O2S/c1-9(10-4-15(28)23-6-10)29-17-16-13(25-8-27(16)11-2-3-11)5-12(26-17)14-7-24-18(30-14)19(20,21)22/h5,7-11H,2-4,6H2,1H3,(H,23,28)
InChIKeySRQWNUUGHSASQW-UHFFFAOYSA-N
XLogP3.81
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4R)-4-[(1S)-1-[6-(1-tert-butylpyrazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxy-2-fluoroethyl]pyrrolidin-2-one
CID 117842837
4-[(1S)-1-[6-(1-tert-butylpyrazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxy-2-fluoroethyl]pyrrolidin-2-one
CID 117842838
(4R)-4-[(1R)-1-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842927
4-[(1R)-1-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-methylimidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842928
(4R)-4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxy-3,3-difluoropropyl]pyrrolidin-2-one
CID 117842956
4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxy-3,3-difluoropropyl]pyrrolidin-2-one
CID 117842957
(R)-4-((R)-1-(6-(1-tert-butyl-1H-pyrazol-4-yl)-3-(difluoromethyl)-3H-imidazo[4,5-c]pyridin-4-yloxy)ethyl)pyrrolidin-2-one
CID 117842962
4-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-3-(difluoromethyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one
CID 117842963
(7R)-7-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-3-(difluoromethyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]-5-azaspiro[2.4]heptan-4-one
CID 117843184
7-[(1R)-1-[6-(1-tert-butylpyrazol-4-yl)-3-(difluoromethyl)imidazo[4,5-c]pyridin-4-yl]oxyethyl]-5-azaspiro[2.4]heptan-4-one
CID 117843187
(4R)-4-[(1S)-1-[6-(1-tert-butylpyrazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxy-2,2-difluoroethyl]pyrrolidin-2-one
CID 117843362
4-[(1S)-1-[6-(1-tert-butylpyrazol-4-yl)-3-methylimidazo[4,5-c]pyridin-4-yl]oxy-2,2-difluoroethyl]pyrrolidin-2-one
CID 117843363

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one (CID 123688156) is 4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is CC(Oc1nc(-c2cnc(C(F)(F)F)s2)cc2ncn(C3CC3)c12)C1CNC(=O)C1.
What is the InChIKey of 4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
The InChIKey is SRQWNUUGHSASQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c1-9(10-4-15(28)23-6-10)29-17-16-13(25-8-27(16)11-2-3-11)5-12(26-17)14-7-24-18(30-14)19(20,21)22/h5,7-11H,2-4,6H2,1H3,(H,23,28).
What are the key properties of 4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one?
4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one has a molecular weight of 437.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-cyclopropyl-6-[2-(trifluoromethyl)-1,3-thiazol-5-yl]imidazo[4,5-c]pyridin-4-yl]oxyethyl]pyrrolidin-2-one is sourced from PubChem (CID 123688156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).