[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

C22H24F4N6O2 — CID 166862906

IUPAC[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
SMILESCC(O)CC1CCC(C)N1C(=O)c1cc2c(cn1)c(Nc1ccc(F)cn1)nn2CC(F)(F)F
InChIInChI=1S/C22H24F4N6O2/c1-12-3-5-15(7-13(2)33)32(12)21(34)17-8-18-16(10-27-17)20(30-31(18)11-22(24,25)26)29-19-6-4-14(23)9-28-19/h4,6,8-10,12-13,15,33H,3,5,7,11H2,1-2H3,(H,28,29,30)
InChIKeySGGOOQSZUAJKOX-UHFFFAOYSA-N
MW480.47 g/mol
LogP4.04
Rot. Bonds6

About [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

[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 (PubChem CID 166862906) has the molecular formula C22H24F4N6O2 and a molecular weight of 480.47 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID166862906
Molecular FormulaC22H24F4N6O2
Molecular Weight480.47 g/mol
Exact Mass480.19
IUPAC Name[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
SMILESCC(O)CC1CCC(C)N1C(=O)c1cc2c(cn1)c(Nc1ccc(F)cn1)nn2CC(F)(F)F
InChIInChI=1S/C22H24F4N6O2/c1-12-3-5-15(7-13(2)33)32(12)21(34)17-8-18-16(10-27-17)20(30-31(18)11-22(24,25)26)29-19-6-4-14(23)9-28-19/h4,6,8-10,12-13,15,33H,3,5,7,11H2,1-2H3,(H,28,29,30)
InChIKeySGGOOQSZUAJKOX-UHFFFAOYSA-N
XLogP4.04
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 54.04
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]-[2-(2-hydroxypropyl)-5-methylpyrrolidin-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]-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 151452156
[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-(6-fluorobenzimidazol-1-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridin-6-yl]-(1,4-oxazepan-4-yl)methanone
CID 151596194
(3R)-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]oxolane-3-carboxamide
CID 95897870
[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
(2-ethyl-5-methylpyrrolidin-1-yl)-[5-(propylamino)pyrazin-2-yl]methanone
CID 107376681
tert-butyl 2-[3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1-(2,2,2-trifluoroethyl)pyrazolo[4,3-c]pyridine-6-carbonyl]-2-azabicyclo[2.2.1]heptane-6-carboxylate
CID 162493675
(2-bromo-5-fluorophenyl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 83136204
[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
(2S)-2-[(5-fluoro-2-pyridinyl)amino]-1-[(2S)-2-methylpiperidin-1-yl]propan-1-one
CID 124880339

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]-[2-(2-hydroxypropyl)-5-methylpyrrolidin-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]-[2-(2-hydroxypropyl)-5-methylpyrrolidin-1-yl]methanone (CID 166862906) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is CC(O)CC1CCC(C)N1C(=O)c1cc2c(cn1)c(Nc1ccc(F)cn1)nn2CC(F)(F)F.
What is the InChIKey of [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?
The InChIKey is SGGOOQSZUAJKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4N6O2/c1-12-3-5-15(7-13(2)33)32(12)21(34)17-8-18-16(10-27-17)20(30-31(18)11-22(24,25)26)29-19-6-4-14(23)9-28-19/h4,6,8-10,12-13,15,33H,3,5,7,11H2,1-2H3,(H,28,29,30).
What are the key properties of [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?
[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 has a molecular weight of 480.47 g/mol, XLogP of 4.04, 6 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]-[2-(2-hydroxypropyl)-5-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 166862906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).