4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine

C13H14ClF3N4O — CID 123664140

IUPAC4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine
SMILESCC(n1nc(N2CCOCC2)c2cnc(Cl)cc21)C(F)(F)F
InChIInChI=1S/C13H14ClF3N4O/c1-8(13(15,16)17)21-10-6-11(14)18-7-9(10)12(19-21)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3
InChIKeyFFQSVAMIANNNRI-UHFFFAOYSA-N
MW334.73 g/mol
LogP3.04
Rot. Bonds2

About 4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine

4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine (PubChem CID 123664140) has the molecular formula C13H14ClF3N4O and a molecular weight of 334.73 g/mol. Its IUPAC name is 4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine
PubChem CID123664140
Molecular FormulaC13H14ClF3N4O
Molecular Weight334.73 g/mol
Exact Mass334.08
IUPAC Name4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine
SMILESCC(n1nc(N2CCOCC2)c2cnc(Cl)cc21)C(F)(F)F
InChIInChI=1S/C13H14ClF3N4O/c1-8(13(15,16)17)21-10-6-11(14)18-7-9(10)12(19-21)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3
InChIKeyFFQSVAMIANNNRI-UHFFFAOYSA-N
XLogP3.04
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.73
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine?
The IUPAC name of 4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine (CID 123664140) is 4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine?
The canonical SMILES for 4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine is CC(n1nc(N2CCOCC2)c2cnc(Cl)cc21)C(F)(F)F.
What is the InChIKey of 4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine?
The InChIKey is FFQSVAMIANNNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N4O/c1-8(13(15,16)17)21-10-6-11(14)18-7-9(10)12(19-21)20-2-4-22-5-3-20/h6-8H,2-5H2,1H3.
What are the key properties of 4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine?
4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine has a molecular weight of 334.73 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-1-(1,1,1-trifluoropropan-2-yl)pyrazolo[4,3-c]pyridin-3-yl]morpholine is sourced from PubChem (CID 123664140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).