(4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole

C68H83F6N9O5 — CID 158017719

IUPAC(4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCCCC(O)(c1cn(C)c2ncc(-c3c(C)noc3C)cc12)C1CCC(F)(F)CC1.CCCCC(c1cn(C)c2ncc(-c3c(C)noc3C)cc12)C1CCC(F)(F)CC1.Cc1noc(C)c1-c1cnc2c(c1)c(C(=O)C1CCC(F)(F)CC1)cn2C
InChIInChI=1S/C24H31F2N3O2.C24H31F2N3O.C20H21F2N3O2/c1-5-6-9-24(30,18-7-10-23(25,26)11-8-18)20-14-29(4)22-19(20)12-17(13-27-22)21-15(2)28-31-16(21)3;1-5-6-7-19(17-8-10-24(25,26)11-9-17)21-14-29(4)23-20(21)12-18(13-27-23)22-15(2)28-30-16(22)3;1-11-17(12(2)27-24-11)14-8-15-16(10-25(3)19(15)23-9-14)18(26)13-4-6-20(21,22)7-5-13/h12-14,18,30H,5-11H2,1-4H3;12-14,17,19H,5-11H2,1-4H3;8-10,13H,4-7H2,1-3H3
InChIKeyFFRFAMGYPVCWDT-UHFFFAOYSA-N
MW1220.46 g/mol
LogP17.85
Rot. Bonds15

About (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole

(4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 158017719) has the molecular formula C68H83F6N9O5 and a molecular weight of 1220.46 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID158017719
Molecular FormulaC68H83F6N9O5
Molecular Weight1220.46 g/mol
Exact Mass1219.64
IUPAC Name(4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCCCC(O)(c1cn(C)c2ncc(-c3c(C)noc3C)cc12)C1CCC(F)(F)CC1.CCCCC(c1cn(C)c2ncc(-c3c(C)noc3C)cc12)C1CCC(F)(F)CC1.Cc1noc(C)c1-c1cnc2c(c1)c(C(=O)C1CCC(F)(F)CC1)cn2C
InChIInChI=1S/C24H31F2N3O2.C24H31F2N3O.C20H21F2N3O2/c1-5-6-9-24(30,18-7-10-23(25,26)11-8-18)20-14-29(4)22-19(20)12-17(13-27-22)21-15(2)28-31-16(21)3;1-5-6-7-19(17-8-10-24(25,26)11-9-17)21-14-29(4)23-20(21)12-18(13-27-23)22-15(2)28-30-16(22)3;1-11-17(12(2)27-24-11)14-8-15-16(10-25(3)19(15)23-9-14)18(26)13-4-6-20(21,22)7-5-13/h12-14,18,30H,5-11H2,1-4H3;12-14,17,19H,5-11H2,1-4H3;8-10,13H,4-7H2,1-3H3
InChIKeyFFRFAMGYPVCWDT-UHFFFAOYSA-N
XLogP17.85
TPSA168.85 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001220.46
LogP ≤ 517.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

1-[4-[[5-(3,5-Dimethylisoxazol-4-yl)-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methyl]-1-piperidyl]-2,2,2-trifluoro-ethanone
CID 117628223
4-[3-[1-(4,4-Difluorocyclohexyl)propyl]-1-methyl-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 117628258
1-[5-(3,5-dimethylisoxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-4,4-difluoro-cyclohexanol
CID 117628375
(4,4-Difluorocyclohexyl)-[5-(3,5-dimethylisoxazol-4-yl)-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 117628420
4-[3-[(4,4-Difluorocyclohexyl)methyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
CID 132099514
[4-[[5-(3,5-Dimethylisoxazol-4-yl)-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methyl]-1-piperidyl]-phenyl-methanone
CID 117628332
6-[3-[(4,4-Difluorocyclohexyl)methyl]-5-(3,5-dimethylisoxazol-4-yl)pyrrolo[2,3-b]pyridin-1-yl]pyridine-3-carboxylic acid
CID 90426053
1-(4,4-Difluorocyclohexyl)-1-[5-(3,5-dimethylisoxazol-4-yl)-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol
CID 90448933
4-[3-[1-(4,4-Difluorocyclohexyl)pentyl]-1-methyl-pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-isoxazole
CID 90448934
(4,4-Difluorocyclohexyl)-[5-(3,5-dimethylisoxazol-4-yl)-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methanone
CID 90448935
4-[3-(Dipyridin-2-ylmethyl)-1-(1-fluoroethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90448978
4-[3-Benzhydryl-1-(1-fluoroethyl)pyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole
CID 90448982

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole (CID 158017719) is (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole is CCCCC(O)(c1cn(C)c2ncc(-c3c(C)noc3C)cc12)C1CCC(F)(F)CC1.CCCCC(c1cn(C)c2ncc(-c3c(C)noc3C)cc12)C1CCC(F)(F)CC1.Cc1noc(C)c1-c1cnc2c(c1)c(C(=O)C1CCC(F)(F)CC1)cn2C.
What is the InChIKey of (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is FFRFAMGYPVCWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F2N3O2.C24H31F2N3O.C20H21F2N3O2/c1-5-6-9-24(30,18-7-10-23(25,26)11-8-18)20-14-29(4)22-19(20)12-17(13-27-22)21-15(2)28-31-16(21)3;1-5-6-7-19(17-8-10-24(25,26)11-9-17)21-14-29(4)23-20(21)12-18(13-27-23)22-15(2)28-30-16(22)3;1-11-17(12(2)27-24-11)14-8-15-16(10-25(3)19(15)23-9-14)18(26)13-4-6-20(21,22)7-5-13/h12-14,18,30H,5-11H2,1-4H3;12-14,17,19H,5-11H2,1-4H3;8-10,13H,4-7H2,1-3H3.
What are the key properties of (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole?
(4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 1220.46 g/mol, XLogP of 17.85, 15 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]methanone;1-(4,4-difluorocyclohexyl)-1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-methylpyrrolo[2,3-b]pyridin-3-yl]pentan-1-ol;4-[3-[1-(4,4-difluorocyclohexyl)pentyl]-1-methylpyrrolo[2,3-b]pyridin-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 158017719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).