[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone

C23H24F3N5O3 — CID 155192240

IUPAC[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone
SMILESCc1ccc2oc(N3CCN(C(=O)c4cnc(OCC5(C(F)(F)F)CC5)c(C)c4)CC3)nc2n1
InChIInChI=1S/C23H24F3N5O3/c1-14-11-16(12-27-19(14)33-13-22(5-6-22)23(24,25)26)20(32)30-7-9-31(10-8-30)21-29-18-17(34-21)4-3-15(2)28-18/h3-4,11-12H,5-10,13H2,1-2H3
InChIKeyZUVSIMFWIFOZKN-UHFFFAOYSA-N
MW475.47 g/mol
LogP3.92
Rot. Bonds5

About [4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone

[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone (PubChem CID 155192240) has the molecular formula C23H24F3N5O3 and a molecular weight of 475.47 g/mol. Its IUPAC name is [4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone
PubChem CID155192240
Molecular FormulaC23H24F3N5O3
Molecular Weight475.47 g/mol
Exact Mass475.18
IUPAC Name[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone
SMILESCc1ccc2oc(N3CCN(C(=O)c4cnc(OCC5(C(F)(F)F)CC5)c(C)c4)CC3)nc2n1
InChIInChI=1S/C23H24F3N5O3/c1-14-11-16(12-27-19(14)33-13-22(5-6-22)23(24,25)26)20(32)30-7-9-31(10-8-30)21-29-18-17(34-21)4-3-15(2)28-18/h3-4,11-12H,5-10,13H2,1-2H3
InChIKeyZUVSIMFWIFOZKN-UHFFFAOYSA-N
XLogP3.92
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.47
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone?
The IUPAC name of [4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone (CID 155192240) is [4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone.
What is the SMILES notation for [4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone?
The canonical SMILES for [4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone is Cc1ccc2oc(N3CCN(C(=O)c4cnc(OCC5(C(F)(F)F)CC5)c(C)c4)CC3)nc2n1.
What is the InChIKey of [4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone?
The InChIKey is ZUVSIMFWIFOZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O3/c1-14-11-16(12-27-19(14)33-13-22(5-6-22)23(24,25)26)20(32)30-7-9-31(10-8-30)21-29-18-17(34-21)4-3-15(2)28-18/h3-4,11-12H,5-10,13H2,1-2H3.
What are the key properties of [4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone?
[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone has a molecular weight of 475.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-[5-methyl-6-[[1-(trifluoromethyl)cyclopropyl]methoxy]-3-pyridinyl]methanone is sourced from PubChem (CID 155192240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).