(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C21H20F3N5O — CID 175642980

IUPAC(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2c(c1)ncn2C1CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)15-2-1-3-17(11-15)27-6-8-28(9-7-27)20(30)14-10-18-19(25-12-14)29(13-26-18)16-4-5-16/h1-3,10-13,16H,4-9H2
InChIKeyZCMLBPZVYKANIV-UHFFFAOYSA-N
MW415.42 g/mol
LogP3.75
Rot. Bonds3

About (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 175642980) has the molecular formula C21H20F3N5O and a molecular weight of 415.42 g/mol. Its IUPAC name is (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID175642980
Molecular FormulaC21H20F3N5O
Molecular Weight415.42 g/mol
Exact Mass415.16
IUPAC Name(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cnc2c(c1)ncn2C1CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C21H20F3N5O/c22-21(23,24)15-2-1-3-17(11-15)27-6-8-28(9-7-27)20(30)14-10-18-19(25-12-14)29(13-26-18)16-4-5-16/h1-3,10-13,16H,4-9H2
InChIKeyZCMLBPZVYKANIV-UHFFFAOYSA-N
XLogP3.75
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopropyl-N-[[3-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 175640437
pyridin-4-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2166152
(5-methylpyrazin-2-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 42965297
(1S,2S,3S,4S)-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98299242
(1R,2R,3S,4S)-3-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 27521978
(3,5-dimethoxy-4-methylphenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 33232919
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 176503873
pyrrolidin-3-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 119828342
[4-[(3-fluorophenyl)methyl]-1,4-diazepan-1-yl]-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176500860
[(2R)-oxolan-2-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 1222722
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 6981925
[1,2,4]triazolo[4,3-b]pyridazin-6-yl-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 146079038

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 175642980) is (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1cnc2c(c1)ncn2C1CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is ZCMLBPZVYKANIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O/c22-21(23,24)15-2-1-3-17(11-15)27-6-8-28(9-7-27)20(30)14-10-18-19(25-12-14)29(13-26-18)16-4-5-16/h1-3,10-13,16H,4-9H2.
What are the key properties of (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 415.42 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 175642980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).