(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C16H19F3N4O — CID 42929602

IUPAC(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC(C)n1ncc2cc(C(=O)N3CCCC(C(F)(F)F)C3)cnc21
InChIInChI=1S/C16H19F3N4O/c1-10(2)23-14-11(8-21-23)6-12(7-20-14)15(24)22-5-3-4-13(9-22)16(17,18)19/h6-8,10,13H,3-5,9H2,1-2H3
InChIKeyLVECODOGRZJQSQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.43
Rot. Bonds2

About (1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 42929602) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is (1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID42929602
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCC(C)n1ncc2cc(C(=O)N3CCCC(C(F)(F)F)C3)cnc21
InChIInChI=1S/C16H19F3N4O/c1-10(2)23-14-11(8-21-23)6-12(7-20-14)15(24)22-5-3-4-13(9-22)16(17,18)19/h6-8,10,13H,3-5,9H2,1-2H3
InChIKeyLVECODOGRZJQSQ-UHFFFAOYSA-N
XLogP3.43
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 42929602) is (1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is CC(C)n1ncc2cc(C(=O)N3CCCC(C(F)(F)F)C3)cnc21.
What is the InChIKey of (1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is LVECODOGRZJQSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-10(2)23-14-11(8-21-23)6-12(7-20-14)15(24)22-5-3-4-13(9-22)16(17,18)19/h6-8,10,13H,3-5,9H2,1-2H3.
What are the key properties of (1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 340.35 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 42929602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).