3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H15ClF4N6O2 — CID 175979423

IUPAC3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2nc(-c3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c(C(N)=O)c2C(F)(F)F)n1
InChIInChI=1S/C22H15ClF4N6O2/c1-10-3-2-4-15(31-10)33-19(22(25,26)27)16(21(29)34)18(32-33)11-5-6-13(12(24)9-11)35-14-7-8-30-20(28)17(14)23/h2-9H,1H3,(H2,28,30)(H2,29,34)
InChIKeyRBQPEYFBHKEZGN-UHFFFAOYSA-N
MW506.85 g/mol
LogP4.92
Rot. Bonds5

About 3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide

3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 175979423) has the molecular formula C22H15ClF4N6O2 and a molecular weight of 506.85 g/mol. Its IUPAC name is 3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID175979423
Molecular FormulaC22H15ClF4N6O2
Molecular Weight506.85 g/mol
Exact Mass506.09
IUPAC Name3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cccc(-n2nc(-c3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c(C(N)=O)c2C(F)(F)F)n1
InChIInChI=1S/C22H15ClF4N6O2/c1-10-3-2-4-15(31-10)33-19(22(25,26)27)16(21(29)34)18(32-33)11-5-6-13(12(24)9-11)35-14-7-8-30-20(28)17(14)23/h2-9H,1H3,(H2,28,30)(H2,29,34)
InChIKeyRBQPEYFBHKEZGN-UHFFFAOYSA-N
XLogP4.92
TPSA121.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.85
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-(4-fluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 175979400
3-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1,5-diphenylpyrazole-4-carboxamide
CID 175535125
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(3,5-difluoro-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545400
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545418
methyl 4-[4-carbamoyl-1-isoquinolin-4-yl-5-(trifluoromethyl)pyrazol-3-yl]pyridine-2-carboxylate
CID 175593790
(Z)-2-amino-N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-3-anilinoprop-2-enamide
CID 167269576
N-[4-(6-amino-5-chloropyrimidin-4-yl)oxy-3-fluorophenyl]-1-pyridazin-3-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 166545376
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
CID 167268113
N-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-methylphenyl)-1,1-dioxothiazinane-6-carboxamide
CID 90643473
N-[4-[4-amino-5-[3-fluoro-4-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrazolo[5,1-f][1,2,4]triazin-6-yl]phenyl]prop-2-enamide
CID 171853203
7-[2-fluoro-4-[[3-[1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]oxiran-2-yl]amino]phenoxy]-1-propan-2-yl-3H-imidazo[4,5-b]pyridin-2-one
CID 167265237
5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 54553606

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 175979423) is 3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cccc(-n2nc(-c3ccc(Oc4ccnc(N)c4Cl)c(F)c3)c(C(N)=O)c2C(F)(F)F)n1.
What is the InChIKey of 3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is RBQPEYFBHKEZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF4N6O2/c1-10-3-2-4-15(31-10)33-19(22(25,26)27)16(21(29)34)18(32-33)11-5-6-13(12(24)9-11)35-14-7-8-30-20(28)17(14)23/h2-9H,1H3,(H2,28,30)(H2,29,34).
What are the key properties of 3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide?
3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 506.85 g/mol, XLogP of 4.92, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-amino-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-1-(6-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 175979423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).