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

C19H22F3N5O2 — CID 136951082

IUPAC3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCc1ccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)nc1
InChIInChI=1S/C19H22F3N5O2/c1-2-11-3-4-13(23-10-11)27-7-5-12(6-8-27)16-15-17(26-25-16)24-14(28)9-18(15,29)19(20,21)22/h3-4,10,12,29H,2,5-9H2,1H3,(H2,24,25,26,28)
InChIKeyPCBSZKOSTVUCPM-UHFFFAOYSA-N
MW409.41 g/mol
LogP2.84
Rot. Bonds3

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

3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136951082) has the molecular formula C19H22F3N5O2 and a molecular weight of 409.41 g/mol. Its IUPAC name is 3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136951082
Molecular FormulaC19H22F3N5O2
Molecular Weight409.41 g/mol
Exact Mass409.17
IUPAC Name3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESCCc1ccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)nc1
InChIInChI=1S/C19H22F3N5O2/c1-2-11-3-4-13(23-10-11)27-7-5-12(6-8-27)16-15-17(26-25-16)24-14(28)9-18(15,29)19(20,21)22/h3-4,10,12,29H,2,5-9H2,1H3,(H2,24,25,26,28)
InChIKeyPCBSZKOSTVUCPM-UHFFFAOYSA-N
XLogP2.84
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.41
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-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 3-[1-(5-ethyl-2-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-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 136951082) is 3-[1-(5-ethyl-2-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-(5-ethyl-2-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-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is CCc1ccc(N2CCC(c3[nH]nc4c3C(O)(C(F)(F)F)CC(=O)N4)CC2)nc1.
What is the InChIKey of 3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is PCBSZKOSTVUCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O2/c1-2-11-3-4-13(23-10-11)27-7-5-12(6-8-27)16-15-17(26-25-16)24-14(28)9-18(15,29)19(20,21)22/h3-4,10,12,29H,2,5-9H2,1H3,(H2,24,25,26,28).
What are the key properties of 3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 409.41 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-ethyl-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 136951082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).