4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine

C20H19F4N3O — CID 110217753

IUPAC4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(C3CCCN(Cc4cccc(F)c4F)C3)cc(C(F)F)c12
InChIInChI=1S/C20H19F4N3O/c1-11-17-14(19(23)24)8-16(25-20(17)28-26-11)12-5-3-7-27(9-12)10-13-4-2-6-15(21)18(13)22/h2,4,6,8,12,19H,3,5,7,9-10H2,1H3
InChIKeyLZZMFSUUVBLELK-UHFFFAOYSA-N
MW393.38 g/mol
LogP5.13
Rot. Bonds4

About 4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine

4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine (PubChem CID 110217753) has the molecular formula C20H19F4N3O and a molecular weight of 393.38 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
PubChem CID110217753
Molecular FormulaC20H19F4N3O
Molecular Weight393.38 g/mol
Exact Mass393.15
IUPAC Name4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
SMILESCc1noc2nc(C3CCCN(Cc4cccc(F)c4F)C3)cc(C(F)F)c12
InChIInChI=1S/C20H19F4N3O/c1-11-17-14(19(23)24)8-16(25-20(17)28-26-11)12-5-3-7-27(9-12)10-13-4-2-6-15(21)18(13)22/h2,4,6,8,12,19H,3,5,7,9-10H2,1H3
InChIKeyLZZMFSUUVBLELK-UHFFFAOYSA-N
XLogP5.13
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.38
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(difluoromethyl)-6-[1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 110218683
4-(difluoromethyl)-6-[(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 92599356
5-[[3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 110217751
1-[3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 110217709
4-(difluoromethyl)-6-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 92599755
(2-tert-butylpyrimidin-5-yl)-[(3S)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92599292
[(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 92599322
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
1-[(3R)-3-[4-(difluoromethyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]-2-(2-methoxy-4-methylphenoxy)ethanone
CID 92556322
3-tert-butyl-5-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 46956678
4-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858529
5-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylpyrazolo[1,5-a]pyrimidin-7-amine
CID 46960716

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine (CID 110217753) is 4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine is Cc1noc2nc(C3CCCN(Cc4cccc(F)c4F)C3)cc(C(F)F)c12.
What is the InChIKey of 4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
The InChIKey is LZZMFSUUVBLELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O/c1-11-17-14(19(23)24)8-16(25-20(17)28-26-11)12-5-3-7-27(9-12)10-13-4-2-6-15(21)18(13)22/h2,4,6,8,12,19H,3,5,7,9-10H2,1H3.
What are the key properties of 4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine?
4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine has a molecular weight of 393.38 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 110217753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).