6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

C15H20F3N5 — CID 66509678

IUPAC6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCC(C)Nc1n[nH]c2nc(C3CCCNC3)cc(C(F)(F)F)c12
InChIInChI=1S/C15H20F3N5/c1-8(2)20-13-12-10(15(16,17)18)6-11(21-14(12)23-22-13)9-4-3-5-19-7-9/h6,8-9,19H,3-5,7H2,1-2H3,(H2,20,21,22,23)
InChIKeyXKUBZZOCRNJHTK-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.26
Rot. Bonds3

About 6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine

6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 66509678) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID66509678
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCC(C)Nc1n[nH]c2nc(C3CCCNC3)cc(C(F)(F)F)c12
InChIInChI=1S/C15H20F3N5/c1-8(2)20-13-12-10(15(16,17)18)6-11(21-14(12)23-22-13)9-4-3-5-19-7-9/h6,8-9,19H,3-5,7H2,1-2H3,(H2,20,21,22,23)
InChIKeyXKUBZZOCRNJHTK-UHFFFAOYSA-N
XLogP3.26
TPSA65.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 66509678) is 6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is CC(C)Nc1n[nH]c2nc(C3CCCNC3)cc(C(F)(F)F)c12.
What is the InChIKey of 6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is XKUBZZOCRNJHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N5/c1-8(2)20-13-12-10(15(16,17)18)6-11(21-14(12)23-22-13)9-4-3-5-19-7-9/h6,8-9,19H,3-5,7H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine has a molecular weight of 327.35 g/mol, XLogP of 3.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 66509678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).