4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

C18H18ClFN4O — CID 59662243

IUPAC4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccn3ncc(-c4ccc(F)c(Cl)c4)c3n2)CC1
InChIInChI=1S/C18H18ClFN4O/c19-15-9-11(1-6-16(15)20)14-10-21-24-8-7-17(23-18(14)24)22-12-2-4-13(25)5-3-12/h1,6-10,12-13,25H,2-5H2,(H,22,23)
InChIKeyGAQULZRQGFYDTR-UHFFFAOYSA-N
MW360.82 g/mol
LogP3.90
Rot. Bonds3

About 4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol

4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (PubChem CID 59662243) has the molecular formula C18H18ClFN4O and a molecular weight of 360.82 g/mol. Its IUPAC name is 4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
PubChem CID59662243
Molecular FormulaC18H18ClFN4O
Molecular Weight360.82 g/mol
Exact Mass360.12
IUPAC Name4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2ccn3ncc(-c4ccc(F)c(Cl)c4)c3n2)CC1
InChIInChI=1S/C18H18ClFN4O/c19-15-9-11(1-6-16(15)20)14-10-21-24-8-7-17(23-18(14)24)22-12-2-4-13(25)5-3-12/h1,6-10,12-13,25H,2-5H2,(H,22,23)
InChIKeyGAQULZRQGFYDTR-UHFFFAOYSA-N
XLogP3.90
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.82
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol (CID 59662243) is 4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2ccn3ncc(-c4ccc(F)c(Cl)c4)c3n2)CC1.
What is the InChIKey of 4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
The InChIKey is GAQULZRQGFYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O/c19-15-9-11(1-6-16(15)20)14-10-21-24-8-7-17(23-18(14)24)22-12-2-4-13(25)5-3-12/h1,6-10,12-13,25H,2-5H2,(H,22,23).
What are the key properties of 4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol?
4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol has a molecular weight of 360.82 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(3-chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 59662243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).