4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol

C17H17ClFN5O — CID 71264999

IUPAC4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(-c3cnn4ccc(Cl)cc34)ncc2F)CC1
InChIInChI=1S/C17H17ClFN5O/c18-10-5-6-24-15(7-10)13(8-21-24)16-20-9-14(19)17(23-16)22-11-1-3-12(25)4-2-11/h5-9,11-12,25H,1-4H2,(H,20,22,23)
InChIKeyOCFOPKITQQLNEL-UHFFFAOYSA-N
MW361.81 g/mol
LogP3.30
Rot. Bonds3

About 4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 71264999) has the molecular formula C17H17ClFN5O and a molecular weight of 361.81 g/mol. Its IUPAC name is 4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID71264999
Molecular FormulaC17H17ClFN5O
Molecular Weight361.81 g/mol
Exact Mass361.11
IUPAC Name4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(-c3cnn4ccc(Cl)cc34)ncc2F)CC1
InChIInChI=1S/C17H17ClFN5O/c18-10-5-6-24-15(7-10)13(8-21-24)16-20-9-14(19)17(23-16)22-11-1-3-12(25)4-2-11/h5-9,11-12,25H,1-4H2,(H,20,22,23)
InChIKeyOCFOPKITQQLNEL-UHFFFAOYSA-N
XLogP3.30
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.81
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol (CID 71264999) is 4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(-c3cnn4ccc(Cl)cc34)ncc2F)CC1.
What is the InChIKey of 4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is OCFOPKITQQLNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5O/c18-10-5-6-24-15(7-10)13(8-21-24)16-20-9-14(19)17(23-16)22-11-1-3-12(25)4-2-11/h5-9,11-12,25H,1-4H2,(H,20,22,23).
What are the key properties of 4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 361.81 g/mol, XLogP of 3.30, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5-chloropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 71264999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).