6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine

C14H16F3N3 — CID 166827784

IUPAC6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine
SMILESCC(C)[C@H]1C[C@@H]1c1cnc2cnn(CC(F)(F)F)c2c1
InChIInChI=1S/C14H16F3N3/c1-8(2)10-4-11(10)9-3-13-12(18-5-9)6-19-20(13)7-14(15,16)17/h3,5-6,8,10-11H,4,7H2,1-2H3/t10-,11-/m1/s1
InChIKeyJYMKIRHMINRHPN-GHMZBOCLSA-N
MW283.30 g/mol
LogP3.75
Rot. Bonds3

About 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine

6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine (PubChem CID 166827784) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine
PubChem CID166827784
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine
SMILESCC(C)[C@H]1C[C@@H]1c1cnc2cnn(CC(F)(F)F)c2c1
InChIInChI=1S/C14H16F3N3/c1-8(2)10-4-11(10)9-3-13-12(18-5-9)6-19-20(13)7-14(15,16)17/h3,5-6,8,10-11H,4,7H2,1-2H3/t10-,11-/m1/s1
InChIKeyJYMKIRHMINRHPN-GHMZBOCLSA-N
XLogP3.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine (CID 166827784) is 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine is CC(C)[C@H]1C[C@@H]1c1cnc2cnn(CC(F)(F)F)c2c1.
What is the InChIKey of 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is JYMKIRHMINRHPN-GHMZBOCLSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-8(2)10-4-11(10)9-3-13-12(18-5-9)6-19-20(13)7-14(15,16)17/h3,5-6,8,10-11H,4,7H2,1-2H3/t10-,11-/m1/s1.
What are the key properties of 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine?
6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 283.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S,2R)-2-propan-2-ylcyclopropyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 166827784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).