4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

C20H21F6N5O2 — CID 136951708

IUPAC4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESC[C@H](c1[nH]nc2c1C(O)(C(F)(F)F)CC(=O)N2)[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H21F6N5O2/c1-10(16-15-17(30-29-16)28-14(32)7-18(15,33)20(24,25)26)11-3-2-6-31(9-11)13-5-4-12(8-27-13)19(21,22)23/h4-5,8,10-11,33H,2-3,6-7,9H2,1H3,(H2,28,29,30,32)/t10-,11-,18?/m0/s1
InChIKeyGSSFVBMHQZFMTJ-QMZNTLOPSA-N
MW477.41 g/mol
LogP3.94
Rot. Bonds3

About 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one

4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136951708) has the molecular formula C20H21F6N5O2 and a molecular weight of 477.41 g/mol. Its IUPAC name is 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136951708
Molecular FormulaC20H21F6N5O2
Molecular Weight477.41 g/mol
Exact Mass477.16
IUPAC Name4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESC[C@H](c1[nH]nc2c1C(O)(C(F)(F)F)CC(=O)N2)[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1
InChIInChI=1S/C20H21F6N5O2/c1-10(16-15-17(30-29-16)28-14(32)7-18(15,33)20(24,25)26)11-3-2-6-31(9-11)13-5-4-12(8-27-13)19(21,22)23/h4-5,8,10-11,33H,2-3,6-7,9H2,1H3,(H2,28,29,30,32)/t10-,11-,18?/m0/s1
InChIKeyGSSFVBMHQZFMTJ-QMZNTLOPSA-N
XLogP3.94
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one with MolForge

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Related Compounds

4-hydroxy-5-(trifluoromethyl)-3-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]-4,5,6,8-tetrahydro-2H-pyrazolo[3,4-b]azepin-7-one
CID 163472513
1-propan-2-yl-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]urea
CID 95714073
N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]acetamide
CID 47282597
1-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]imidazolidin-2-one
CID 95590464
(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-ol
CID 94895243
ethyl 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 4737359
2-[(3R)-3-methylpyrrolidin-1-yl]-5-(trifluoromethyl)pyridine
CID 59059706
2-(3-ethoxypiperidin-1-yl)-5-(trifluoromethyl)pyridine
CID 75917771
6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 136968666
2-N-[(3S)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 95868283
N,N-di(propan-2-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]acetamide
CID 55412772
2-(4-propan-2-ylsulfanylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142641

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 136951708) is 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is C[C@H](c1[nH]nc2c1C(O)(C(F)(F)F)CC(=O)N2)[C@H]1CCCN(c2ccc(C(F)(F)F)cn2)C1.
What is the InChIKey of 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is GSSFVBMHQZFMTJ-QMZNTLOPSA-N. The full InChI is InChI=1S/C20H21F6N5O2/c1-10(16-15-17(30-29-16)28-14(32)7-18(15,33)20(24,25)26)11-3-2-6-31(9-11)13-5-4-12(8-27-13)19(21,22)23/h4-5,8,10-11,33H,2-3,6-7,9H2,1H3,(H2,28,29,30,32)/t10-,11-,18?/m0/s1.
What are the key properties of 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 477.41 g/mol, XLogP of 3.94, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-(trifluoromethyl)-3-[(1S)-1-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-3-yl]ethyl]-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136951708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).