4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide

C19H16ClF4N5O2 — CID 156722381

IUPAC4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1cnc(-c2cc(OCC(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)cc1N
InChIInChI=1S/C19H16ClF4N5O2/c1-8-6-26-14(5-13(8)25)10-4-15(31-7-19(22,23)24)11(3-12(10)21)18(30)27-16-9(2)28-29-17(16)20/h3-6H,7H2,1-2H3,(H2,25,26)(H,27,30)(H,28,29)
InChIKeyWLAVDZZZGFWKRG-UHFFFAOYSA-N
MW457.82 g/mol
LogP4.66
Rot. Bonds5

About 4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide

4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide (PubChem CID 156722381) has the molecular formula C19H16ClF4N5O2 and a molecular weight of 457.82 g/mol. Its IUPAC name is 4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide.

Molecular Properties

Compound Name4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
PubChem CID156722381
Molecular FormulaC19H16ClF4N5O2
Molecular Weight457.82 g/mol
Exact Mass457.09
IUPAC Name4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide
SMILESCc1cnc(-c2cc(OCC(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)cc1N
InChIInChI=1S/C19H16ClF4N5O2/c1-8-6-26-14(5-13(8)25)10-4-15(31-7-19(22,23)24)11(3-12(10)21)18(30)27-16-9(2)28-29-17(16)20/h3-6H,7H2,1-2H3,(H2,25,26)(H,27,30)(H,28,29)
InChIKeyWLAVDZZZGFWKRG-UHFFFAOYSA-N
XLogP4.66
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.82
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-chloro-6-fluorocyclohexa-1,5-dien-1-yl)-5-fluoro-4-[5-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-(2,2,2-trifluoroethoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide?
The IUPAC name of 4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide (CID 156722381) is 4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide.
What is the SMILES notation for 4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide?
The canonical SMILES for 4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide is Cc1cnc(-c2cc(OCC(F)(F)F)c(C(=O)Nc3c(Cl)n[nH]c3C)cc2F)cc1N.
What is the InChIKey of 4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide?
The InChIKey is WLAVDZZZGFWKRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF4N5O2/c1-8-6-26-14(5-13(8)25)10-4-15(31-7-19(22,23)24)11(3-12(10)21)18(30)27-16-9(2)28-29-17(16)20/h3-6H,7H2,1-2H3,(H2,25,26)(H,27,30)(H,28,29).
What are the key properties of 4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide?
4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide has a molecular weight of 457.82 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-5-methyl-2-pyridinyl)-N-(3-chloro-5-methyl-1H-pyrazol-4-yl)-5-fluoro-2-(2,2,2-trifluoroethoxy)benzamide is sourced from PubChem (CID 156722381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).