[2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone

C24H24F5N5O3 — CID 155192274

IUPAC[2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc2oc(N3CCN(C(=O)c4c(F)cc(N5CC(OC(C)C(F)(F)F)C5)cc4F)CC3)nc2n1
InChIInChI=1S/C24H24F5N5O3/c1-13-3-4-19-21(30-13)31-23(37-19)33-7-5-32(6-8-33)22(35)20-17(25)9-15(10-18(20)26)34-11-16(12-34)36-14(2)24(27,28)29/h3-4,9-10,14,16H,5-8,11-12H2,1-2H3
InChIKeyAKCODYVEPRICSM-UHFFFAOYSA-N
MW525.48 g/mol
LogP3.93
Rot. Bonds5

About [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone

[2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone (PubChem CID 155192274) has the molecular formula C24H24F5N5O3 and a molecular weight of 525.48 g/mol. Its IUPAC name is [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
PubChem CID155192274
Molecular FormulaC24H24F5N5O3
Molecular Weight525.48 g/mol
Exact Mass525.18
IUPAC Name[2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
SMILESCc1ccc2oc(N3CCN(C(=O)c4c(F)cc(N5CC(OC(C)C(F)(F)F)C5)cc4F)CC3)nc2n1
InChIInChI=1S/C24H24F5N5O3/c1-13-3-4-19-21(30-13)31-23(37-19)33-7-5-32(6-8-33)22(35)20-17(25)9-15(10-18(20)26)34-11-16(12-34)36-14(2)24(27,28)29/h3-4,9-10,14,16H,5-8,11-12H2,1-2H3
InChIKeyAKCODYVEPRICSM-UHFFFAOYSA-N
XLogP3.93
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.48
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(3-fluoro-4-iodophenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 170942934
[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 46270760
(2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270762
tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
CID 175653793
[4-(1-tert-butyl-1,2,4-triazol-3-yl)phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155192881
[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]-(2-pentan-3-yl-1,3-benzoxazol-6-yl)methanone
CID 155192947
[3-[4-(hydroxymethyl)phenyl]-4-(3,3,3-trifluoropropoxy)phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155192248
[3-[4-(hydroxymethyl)phenyl]-4-[[1-(trifluoromethyl)cyclopropyl]methoxy]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155707831
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
[6-(4-tert-butylpyrazol-1-yl)-5-methyl-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155193019
3-(4-methoxyphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
CID 163340048
[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154565637

Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone (CID 155192274) is [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone is Cc1ccc2oc(N3CCN(C(=O)c4c(F)cc(N5CC(OC(C)C(F)(F)F)C5)cc4F)CC3)nc2n1.
What is the InChIKey of [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
The InChIKey is AKCODYVEPRICSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5N5O3/c1-13-3-4-19-21(30-13)31-23(37-19)33-7-5-32(6-8-33)22(35)20-17(25)9-15(10-18(20)26)34-11-16(12-34)36-14(2)24(27,28)29/h3-4,9-10,14,16H,5-8,11-12H2,1-2H3.
What are the key properties of [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone?
[2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone has a molecular weight of 525.48 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-4-[3-(1,1,1-trifluoropropan-2-yloxy)azetidin-1-yl]phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 155192274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).