(2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide

C15H17F3N4O2 — CID 94079336

IUPAC(2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
SMILESCc1nn(C)c2nc(O[C@H](C)C(=O)NC3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C15H17F3N4O2/c1-7-12-10(15(16,17)18)6-11(20-13(12)22(3)21-7)24-8(2)14(23)19-9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,19,23)/t8-/m1/s1
InChIKeyVCESRBDVPUBCPK-MRVPVSSYSA-N
MW342.32 g/mol
LogP2.34
Rot. Bonds4

About (2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide

(2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide (PubChem CID 94079336) has the molecular formula C15H17F3N4O2 and a molecular weight of 342.32 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
PubChem CID94079336
Molecular FormulaC15H17F3N4O2
Molecular Weight342.32 g/mol
Exact Mass342.13
IUPAC Name(2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
SMILESCc1nn(C)c2nc(O[C@H](C)C(=O)NC3CC3)cc(C(F)(F)F)c12
InChIInChI=1S/C15H17F3N4O2/c1-7-12-10(15(16,17)18)6-11(20-13(12)22(3)21-7)24-8(2)14(23)19-9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,19,23)/t8-/m1/s1
InChIKeyVCESRBDVPUBCPK-MRVPVSSYSA-N
XLogP2.34
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide (CID 94079336) is (2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide is Cc1nn(C)c2nc(O[C@H](C)C(=O)NC3CC3)cc(C(F)(F)F)c12.
What is the InChIKey of (2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
The InChIKey is VCESRBDVPUBCPK-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H17F3N4O2/c1-7-12-10(15(16,17)18)6-11(20-13(12)22(3)21-7)24-8(2)14(23)19-9-4-5-9/h6,8-9H,4-5H2,1-3H3,(H,19,23)/t8-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide?
(2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide has a molecular weight of 342.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide is sourced from PubChem (CID 94079336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).