(4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

C21H19F3N6O2 — CID 151823894

IUPAC(4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESO=C(c1cc2c(cn1)c(-c1cnn3ccccc13)nn2CC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C21H19F3N6O2/c22-21(23,24)12-30-18-9-16(20(32)28-7-4-13(31)5-8-28)25-10-14(18)19(27-30)15-11-26-29-6-2-1-3-17(15)29/h1-3,6,9-11,13,31H,4-5,7-8,12H2
InChIKeySDESOQXJTUOTJK-UHFFFAOYSA-N
MW444.42 g/mol
LogP2.91
Rot. Bonds3

About (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone

(4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (PubChem CID 151823894) has the molecular formula C21H19F3N6O2 and a molecular weight of 444.42 g/mol. Its IUPAC name is (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.

Molecular Properties

Compound Name(4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
PubChem CID151823894
Molecular FormulaC21H19F3N6O2
Molecular Weight444.42 g/mol
Exact Mass444.15
IUPAC Name(4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
SMILESO=C(c1cc2c(cn1)c(-c1cnn3ccccc13)nn2CC(F)(F)F)N1CCC(O)CC1
InChIInChI=1S/C21H19F3N6O2/c22-21(23,24)12-30-18-9-16(20(32)28-7-4-13(31)5-8-28)25-10-14(18)19(27-30)15-11-26-29-6-2-1-3-17(15)29/h1-3,6,9-11,13,31H,4-5,7-8,12H2
InChIKeySDESOQXJTUOTJK-UHFFFAOYSA-N
XLogP2.91
TPSA88.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone with MolForge

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Related Compounds

N-ethyl-N-[(3-methylcyclopentyl)methyl]-3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carboxamide
CID 166880548
1,4-oxazepan-4-yl-[3-pyrazolo[1,5-a]pyrazin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 151006578
[3-(6,8-difluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxyazepan-1-yl)methanone
CID 151059996
[3-(1-benzofuran-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(6,6-dideuterio-1,4-oxazepan-4-yl)methanone
CID 151732009
(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-[3-(3H-inden-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 163441683
[3-(3a,7a-dihydro-1-benzofuran-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
CID 162493723
[3-(8-fluoro-1H-1,4-diazonin-2-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 162493826
[3-bromo-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 162486797
[3-[(2-iodophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 163921764
[3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 162486795
(9-benzylpyrido[3,4-b]indol-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 72721233
[3-[(2-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 163860630

Frequently Asked Questions

What is the IUPAC name of (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The IUPAC name of (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone (CID 151823894) is (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone.
What is the SMILES notation for (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The canonical SMILES for (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is O=C(c1cc2c(cn1)c(-c1cnn3ccccc13)nn2CC(F)(F)F)N1CCC(O)CC1.
What is the InChIKey of (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
The InChIKey is SDESOQXJTUOTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N6O2/c22-21(23,24)12-30-18-9-16(20(32)28-7-4-13(31)5-8-28)25-10-14(18)19(27-30)15-11-26-29-6-2-1-3-17(15)29/h1-3,6,9-11,13,31H,4-5,7-8,12H2.
What are the key properties of (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone?
(4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone has a molecular weight of 444.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxypiperidin-1-yl)-[3-pyrazolo[1,5-a]pyridin-3-yl-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]methanone is sourced from PubChem (CID 151823894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).