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

C18H20F3N5O3 — CID 136951019

IUPAC4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCOc1cccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)n1
InChIInChI=1S/C18H20F3N5O3/c1-29-13-4-2-3-11(22-13)26-7-5-10(6-8-26)15-14-16(25-24-15)23-12(27)9-17(14,28)18(19,20)21/h2-4,10,28H,5-9H2,1H3,(H2,23,24,25,27)
InChIKeyQSQFKCALFHEHAK-UHFFFAOYSA-N
MW411.38 g/mol
LogP2.29
Rot. Bonds3

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

4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136951019) has the molecular formula C18H20F3N5O3 and a molecular weight of 411.38 g/mol. Its IUPAC name is 4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136951019
Molecular FormulaC18H20F3N5O3
Molecular Weight411.38 g/mol
Exact Mass411.15
IUPAC Name4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCOc1cccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)n1
InChIInChI=1S/C18H20F3N5O3/c1-29-13-4-2-3-11(22-13)26-7-5-10(6-8-26)15-14-16(25-24-15)23-12(27)9-17(14,28)18(19,20)21/h2-4,10,28H,5-9H2,1H3,(H2,23,24,25,27)
InChIKeyQSQFKCALFHEHAK-UHFFFAOYSA-N
XLogP2.29
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.38
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 136951019) is 4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is COc1cccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)n1.
What is the InChIKey of 4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is QSQFKCALFHEHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N5O3/c1-29-13-4-2-3-11(22-13)26-7-5-10(6-8-26)15-14-16(25-24-15)23-12(27)9-17(14,28)18(19,20)21/h2-4,10,28H,5-9H2,1H3,(H2,23,24,25,27).
What are the key properties of 4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 411.38 g/mol, XLogP of 2.29, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-[1-(6-methoxy-2-pyridinyl)piperidin-4-yl]-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136951019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).