[3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone

C20H20F4N6O2 — CID 151452156

IUPAC[3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc3c(cn2)c(Nc2ccc(F)cn2)nn3CC(F)(F)F)CC1
InChIInChI=1S/C20H20F4N6O2/c1-19(32)4-6-29(7-5-19)18(31)14-8-15-13(10-25-14)17(28-30(15)11-20(22,23)24)27-16-3-2-12(21)9-26-16/h2-3,8-10,32H,4-7,11H2,1H3,(H,26,27,28)
InChIKeyPGSDBOBRHRQKNH-UHFFFAOYSA-N
MW452.41 g/mol
LogP3.26
Rot. Bonds4

About [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone

[3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone (PubChem CID 151452156) has the molecular formula C20H20F4N6O2 and a molecular weight of 452.41 g/mol. Its IUPAC name is [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
PubChem CID151452156
Molecular FormulaC20H20F4N6O2
Molecular Weight452.41 g/mol
Exact Mass452.16
IUPAC Name[3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
SMILESCC1(O)CCN(C(=O)c2cc3c(cn2)c(Nc2ccc(F)cn2)nn3CC(F)(F)F)CC1
InChIInChI=1S/C20H20F4N6O2/c1-19(32)4-6-29(7-5-19)18(31)14-8-15-13(10-25-14)17(28-30(15)11-20(22,23)24)27-16-3-2-12(21)9-26-16/h2-3,8-10,32H,4-7,11H2,1H3,(H,26,27,28)
InChIKeyPGSDBOBRHRQKNH-UHFFFAOYSA-N
XLogP3.26
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[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
[3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-[2-(2-hydroxypropyl)-5-methylpyrrolidin-1-yl]methanone
CID 166862906
[3-(6-fluorobenzimidazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 151596194
(4-chloro-2-pyridinyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80706730
[3-[(3-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 163529953
1,4-oxazepan-4-yl-[1-(2,2,2-trifluoroethyl)-3-[2-(trimethyl-λ4-sulfanyl)ethynyl]pyrazolo[4,3-c]pyridin-6-yl]methanone
CID 166880575
(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
[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-[(2-iodophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 163921764
[3-[(2-chlorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 163860630
[4-(ethylamino)-2-pyridinyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103358193
(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 104637888

Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone (CID 151452156) is [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone is CC1(O)CCN(C(=O)c2cc3c(cn2)c(Nc2ccc(F)cn2)nn3CC(F)(F)F)CC1.
What is the InChIKey of [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
The InChIKey is PGSDBOBRHRQKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N6O2/c1-19(32)4-6-29(7-5-19)18(31)14-8-15-13(10-25-14)17(28-30(15)11-20(22,23)24)27-16-3-2-12(21)9-26-16/h2-3,8-10,32H,4-7,11H2,1H3,(H,26,27,28).
What are the key properties of [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone?
[3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone has a molecular weight of 452.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-2-pyridinyl)amino]-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(4-hydroxy-4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 151452156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).