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

C15H20F3N5 — CID 95804103

IUPAC6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCC(C)Nc1n[nH]c2nc([C@H]3CCCNC3)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)/t9-/m0/s1
InChIKeyXKUBZZOCRNJHTK-VIFPVBQESA-N
MW327.35 g/mol
LogP3.26
Rot. Bonds3

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

6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (PubChem CID 95804103) has the molecular formula C15H20F3N5 and a molecular weight of 327.35 g/mol. Its IUPAC name is 6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
PubChem CID95804103
Molecular FormulaC15H20F3N5
Molecular Weight327.35 g/mol
Exact Mass327.17
IUPAC Name6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
SMILESCC(C)Nc1n[nH]c2nc([C@H]3CCCNC3)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)/t9-/m0/s1
InChIKeyXKUBZZOCRNJHTK-VIFPVBQESA-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

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

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Related Compounds

6-piperidin-3-yl-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 66509678
[(2R)-oxolan-2-yl]-[4-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]methanone
CID 92631759
7-piperidin-3-yl-5-(trifluoromethyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110089624
cyclohexyl-[(2S)-2-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]methanone
CID 92630733
1-[(2R)-2-[3-(propan-2-ylamino)-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-6-yl]pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 92630664
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
N-(pyridin-2-ylmethyl)-6-[(2R)-pyrrolidin-2-yl]-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 95840644
5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole
CID 83849509
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
N-[3-methyl-6-[(3R)-piperidin-3-yl]-1-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl]acetamide
CID 92627724
(3S)-3-[5-fluoro-2-methoxy-4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 162471999
N-(4-methyl-2-pyridinyl)-6-piperidin-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 86342338

Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine (CID 95804103) is 6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is CC(C)Nc1n[nH]c2nc([C@H]3CCCNC3)cc(C(F)(F)F)c12.
What is the InChIKey of 6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
The InChIKey is XKUBZZOCRNJHTK-VIFPVBQESA-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)/t9-/m0/s1.
What are the key properties of 6-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine?
6-[(3S)-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-[(3S)-piperidin-3-yl]-N-propan-2-yl-4-(trifluoromethyl)-1H-pyrazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 95804103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).