[3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol

C18H20F2N4O2 — CID 118937103

IUPAC[3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol
SMILESCc1noc(C)c1-c1nc2c(CO)c[nH]c2nc1C1CCC(F)(F)CC1
InChIInChI=1S/C18H20F2N4O2/c1-9-13(10(2)26-24-9)16-14(11-3-5-18(19,20)6-4-11)23-17-15(22-16)12(8-25)7-21-17/h7,11,25H,3-6,8H2,1-2H3,(H,21,23)
InChIKeyRHFOTGOIVQJFSM-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.01
Rot. Bonds3

About [3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol

[3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol (PubChem CID 118937103) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is [3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol.

Molecular Properties

Compound Name[3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol
PubChem CID118937103
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name[3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol
SMILESCc1noc(C)c1-c1nc2c(CO)c[nH]c2nc1C1CCC(F)(F)CC1
InChIInChI=1S/C18H20F2N4O2/c1-9-13(10(2)26-24-9)16-14(11-3-5-18(19,20)6-4-11)23-17-15(22-16)12(8-25)7-21-17/h7,11,25H,3-6,8H2,1-2H3,(H,21,23)
InChIKeyRHFOTGOIVQJFSM-UHFFFAOYSA-N
XLogP4.01
TPSA87.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
The IUPAC name of [3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol (CID 118937103) is [3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol.
What is the SMILES notation for [3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
The canonical SMILES for [3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol is Cc1noc(C)c1-c1nc2c(CO)c[nH]c2nc1C1CCC(F)(F)CC1.
What is the InChIKey of [3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
The InChIKey is RHFOTGOIVQJFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-9-13(10(2)26-24-9)16-14(11-3-5-18(19,20)6-4-11)23-17-15(22-16)12(8-25)7-21-17/h7,11,25H,3-6,8H2,1-2H3,(H,21,23).
What are the key properties of [3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol?
[3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol has a molecular weight of 362.38 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4,4-difluorocyclohexyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanol is sourced from PubChem (CID 118937103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).