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

C19H23F3N6O2 — CID 136951050

IUPAC3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCN(C)c1ccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)cn1
InChIInChI=1S/C19H23F3N6O2/c1-27(2)13-4-3-12(10-23-13)28-7-5-11(6-8-28)16-15-17(26-25-16)24-14(29)9-18(15,30)19(20,21)22/h3-4,10-11,30H,5-9H2,1-2H3,(H2,24,25,26,29)
InChIKeyMWSSUBYQZDSKIA-UHFFFAOYSA-N
MW424.43 g/mol
LogP2.35
Rot. Bonds3

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

3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136951050) has the molecular formula C19H23F3N6O2 and a molecular weight of 424.43 g/mol. Its IUPAC name is 3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136951050
Molecular FormulaC19H23F3N6O2
Molecular Weight424.43 g/mol
Exact Mass424.18
IUPAC Name3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCN(C)c1ccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)cn1
InChIInChI=1S/C19H23F3N6O2/c1-27(2)13-4-3-12(10-23-13)28-7-5-11(6-8-28)16-15-17(26-25-16)24-14(29)9-18(15,30)19(20,21)22/h3-4,10-11,30H,5-9H2,1-2H3,(H2,24,25,26,29)
InChIKeyMWSSUBYQZDSKIA-UHFFFAOYSA-N
XLogP2.35
TPSA97.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.43
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 136951050) is 3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is CN(C)c1ccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)cn1.
What is the InChIKey of 3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is MWSSUBYQZDSKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F3N6O2/c1-27(2)13-4-3-12(10-23-13)28-7-5-11(6-8-28)16-15-17(26-25-16)24-14(29)9-18(15,30)19(20,21)22/h3-4,10-11,30H,5-9H2,1-2H3,(H2,24,25,26,29).
What are the key properties of 3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 424.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[6-(dimethylamino)-3-pyridinyl]piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136951050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).