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

C22H23F3N4O2 — CID 110235790

IUPAC(3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCc1cnccc1C(=O)N1CCCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1
InChIInChI=1S/C22H23F3N4O2/c1-12(2)17-9-16(22(23,24)25)18-19(28-31-20(18)27-17)14-5-4-8-29(11-14)21(30)15-6-7-26-10-13(15)3/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3
InChIKeyBHHYXXAVOSAUQH-UHFFFAOYSA-N
MW432.45 g/mol
LogP5.09
Rot. Bonds3

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

(3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone (PubChem CID 110235790) has the molecular formula C22H23F3N4O2 and a molecular weight of 432.45 g/mol. Its IUPAC name is (3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
PubChem CID110235790
Molecular FormulaC22H23F3N4O2
Molecular Weight432.45 g/mol
Exact Mass432.18
IUPAC Name(3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
SMILESCc1cnccc1C(=O)N1CCCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1
InChIInChI=1S/C22H23F3N4O2/c1-12(2)17-9-16(22(23,24)25)18-19(28-31-20(18)27-17)14-5-4-8-29(11-14)21(30)15-6-7-26-10-13(15)3/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3
InChIKeyBHHYXXAVOSAUQH-UHFFFAOYSA-N
XLogP5.09
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.45
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone with MolForge

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Related Compounds

(1-methylpyrazol-4-yl)-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92580861
(2-methylpyrazol-3-yl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 110235773
(2R)-2-(5-methylpyrazol-1-yl)-1-[(3S)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 95850034
(5-ethyl-1,2-oxazol-3-yl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 110235785
(2S)-2-imidazol-1-yl-1-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 95850019
3-imidazol-1-yl-1-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92580827
3-(2-methylimidazol-1-yl)-1-[(3R)-3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 92565816
3-(3-methylpyrazol-1-yl)-1-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]propan-1-one
CID 110235757
cyclopentyl-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92601063
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-ethyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92588632
(3-ethyl-1,2-oxazol-5-yl)-[(3S)-3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 92589101
(4-methyl-1,3-thiazol-5-yl)-[3-[6-methyl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 110235714

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone (CID 110235790) is (3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone is Cc1cnccc1C(=O)N1CCCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1.
What is the InChIKey of (3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
The InChIKey is BHHYXXAVOSAUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2/c1-12(2)17-9-16(22(23,24)25)18-19(28-31-20(18)27-17)14-5-4-8-29(11-14)21(30)15-6-7-26-10-13(15)3/h6-7,9-10,12,14H,4-5,8,11H2,1-3H3.
What are the key properties of (3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone?
(3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone has a molecular weight of 432.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyridinyl)-[3-[6-propan-2-yl-4-(trifluoromethyl)-[1,2]oxazolo[5,4-b]pyridin-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 110235790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).