3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide

C19H16F4N4O2 — CID 59539647

IUPAC3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccc(F)cn2)cc(C(O)C(F)(F)F)c1)c1ccn[nH]1
InChIInChI=1S/C19H16F4N4O2/c1-10(15-4-5-25-27-15)26-18(29)13-7-11(16-3-2-14(20)9-24-16)6-12(8-13)17(28)19(21,22)23/h2-10,17,28H,1H3,(H,25,27)(H,26,29)/t10-,17?/m1/s1
InChIKeyGGYMTQCTPAGSEM-YQDUUYOCSA-N
MW408.36 g/mol
LogP3.70
Rot. Bonds5

About 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide

3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide (PubChem CID 59539647) has the molecular formula C19H16F4N4O2 and a molecular weight of 408.36 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
PubChem CID59539647
Molecular FormulaC19H16F4N4O2
Molecular Weight408.36 g/mol
Exact Mass408.12
IUPAC Name3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide
SMILESC[C@@H](NC(=O)c1cc(-c2ccc(F)cn2)cc(C(O)C(F)(F)F)c1)c1ccn[nH]1
InChIInChI=1S/C19H16F4N4O2/c1-10(15-4-5-25-27-15)26-18(29)13-7-11(16-3-2-14(20)9-24-16)6-12(8-13)17(28)19(21,22)23/h2-10,17,28H,1H3,(H,25,27)(H,26,29)/t10-,17?/m1/s1
InChIKeyGGYMTQCTPAGSEM-YQDUUYOCSA-N
XLogP3.70
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.36
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide (CID 59539647) is 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide is C[C@@H](NC(=O)c1cc(-c2ccc(F)cn2)cc(C(O)C(F)(F)F)c1)c1ccn[nH]1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
The InChIKey is GGYMTQCTPAGSEM-YQDUUYOCSA-N. The full InChI is InChI=1S/C19H16F4N4O2/c1-10(15-4-5-25-27-15)26-18(29)13-7-11(16-3-2-14(20)9-24-16)6-12(8-13)17(28)19(21,22)23/h2-10,17,28H,1H3,(H,25,27)(H,26,29)/t10-,17?/m1/s1.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide?
3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide has a molecular weight of 408.36 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-N-[(1R)-1-(1H-pyrazol-5-yl)ethyl]-5-(2,2,2-trifluoro-1-hydroxyethyl)benzamide is sourced from PubChem (CID 59539647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).