1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol

C25H32F2N2O2 — CID 154732834

IUPAC1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol
SMILESCCCCC(O)(C1=CC(C)c2ncc(-c3c(C)noc3C)cc21)C1CCC(F)(F)CC1
InChIInChI=1S/C25H32F2N2O2/c1-5-6-9-25(30,19-7-10-24(26,27)11-8-19)21-12-15(2)23-20(21)13-18(14-28-23)22-16(3)29-31-17(22)4/h12-15,19,30H,5-11H2,1-4H3
InChIKeyKSFIOIVRSSFDCI-UHFFFAOYSA-N
MW430.54 g/mol
LogP6.60
Rot. Bonds6

About 1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol

1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol (PubChem CID 154732834) has the molecular formula C25H32F2N2O2 and a molecular weight of 430.54 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol
PubChem CID154732834
Molecular FormulaC25H32F2N2O2
Molecular Weight430.54 g/mol
Exact Mass430.24
IUPAC Name1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol
SMILESCCCCC(O)(C1=CC(C)c2ncc(-c3c(C)noc3C)cc21)C1CCC(F)(F)CC1
InChIInChI=1S/C25H32F2N2O2/c1-5-6-9-25(30,19-7-10-24(26,27)11-8-19)21-12-15(2)23-20(21)13-18(14-28-23)22-16(3)29-31-17(22)4/h12-15,19,30H,5-11H2,1-4H3
InChIKeyKSFIOIVRSSFDCI-UHFFFAOYSA-N
XLogP6.60
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.54
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol (CID 154732834) is 1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol is CCCCC(O)(C1=CC(C)c2ncc(-c3c(C)noc3C)cc21)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol?
The InChIKey is KSFIOIVRSSFDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O2/c1-5-6-9-25(30,19-7-10-24(26,27)11-8-19)21-12-15(2)23-20(21)13-18(14-28-23)22-16(3)29-31-17(22)4/h12-15,19,30H,5-11H2,1-4H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol?
1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol has a molecular weight of 430.54 g/mol, XLogP of 6.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-methyl-7H-cyclopenta[b]pyridin-5-yl]pentan-1-ol is sourced from PubChem (CID 154732834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).