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

C17H17F4N5O2 — CID 136951098

IUPAC3-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccc(F)cn3)CC2)N1
InChIInChI=1S/C17H17F4N5O2/c18-10-1-2-11(22-8-10)26-5-3-9(4-6-26)14-13-15(25-24-14)23-12(27)7-16(13,28)17(19,20)21/h1-2,8-9,28H,3-7H2,(H2,23,24,25,27)
InChIKeyGVQQKNXHVNOAMN-UHFFFAOYSA-N
MW399.35 g/mol
LogP2.42
Rot. Bonds2

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

3-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 136951098) has the molecular formula C17H17F4N5O2 and a molecular weight of 399.35 g/mol. Its IUPAC name is 3-[1-(5-fluoro-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-fluoro-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID136951098
Molecular FormulaC17H17F4N5O2
Molecular Weight399.35 g/mol
Exact Mass399.13
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccc(F)cn3)CC2)N1
InChIInChI=1S/C17H17F4N5O2/c18-10-1-2-11(22-8-10)26-5-3-9(4-6-26)14-13-15(25-24-14)23-12(27)7-16(13,28)17(19,20)21/h1-2,8-9,28H,3-7H2,(H2,23,24,25,27)
InChIKeyGVQQKNXHVNOAMN-UHFFFAOYSA-N
XLogP2.42
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-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-fluoro-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one (CID 136951098) is 3-[1-(5-fluoro-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-fluoro-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-fluoro-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one is O=C1CC(O)(C(F)(F)F)c2c(n[nH]c2C2CCN(c3ccc(F)cn3)CC2)N1.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is GVQQKNXHVNOAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F4N5O2/c18-10-1-2-11(22-8-10)26-5-3-9(4-6-26)14-13-15(25-24-14)23-12(27)7-16(13,28)17(19,20)21/h1-2,8-9,28H,3-7H2,(H2,23,24,25,27).
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]-4-hydroxy-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-6-one?
3-[1-(5-fluoro-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 399.35 g/mol, XLogP of 2.42, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-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 136951098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).