N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide

C26H27F3N4O2 — CID 149396130

IUPACN-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
SMILESCN(C(=O)C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1ccccn1)c1ccccc1
InChIInChI=1S/C26H27F3N4O2/c1-32(20-10-3-2-4-11-20)25(35)18(15-19-9-7-8-14-30-19)16-21(34)17-33-23-13-6-5-12-22(23)24(31-33)26(27,28)29/h2-4,7-11,14,18H,5-6,12-13,15-17H2,1H3
InChIKeyYOMJXUZFMAAYOS-UHFFFAOYSA-N
MW484.52 g/mol
LogP4.66
Rot. Bonds8

About N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide

N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide (PubChem CID 149396130) has the molecular formula C26H27F3N4O2 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide.

Molecular Properties

Compound NameN-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
PubChem CID149396130
Molecular FormulaC26H27F3N4O2
Molecular Weight484.52 g/mol
Exact Mass484.21
IUPAC NameN-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide
SMILESCN(C(=O)C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1ccccn1)c1ccccc1
InChIInChI=1S/C26H27F3N4O2/c1-32(20-10-3-2-4-11-20)25(35)18(15-19-9-7-8-14-30-19)16-21(34)17-33-23-13-6-5-12-22(23)24(31-33)26(27,28)29/h2-4,7-11,14,18H,5-6,12-13,15-17H2,1H3
InChIKeyYOMJXUZFMAAYOS-UHFFFAOYSA-N
XLogP4.66
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.52
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
The IUPAC name of N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide (CID 149396130) is N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide.
What is the SMILES notation for N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
The canonical SMILES for N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide is CN(C(=O)C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1ccccn1)c1ccccc1.
What is the InChIKey of N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
The InChIKey is YOMJXUZFMAAYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N4O2/c1-32(20-10-3-2-4-11-20)25(35)18(15-19-9-7-8-14-30-19)16-21(34)17-33-23-13-6-5-12-22(23)24(31-33)26(27,28)29/h2-4,7-11,14,18H,5-6,12-13,15-17H2,1H3.
What are the key properties of N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide?
N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide has a molecular weight of 484.52 g/mol, XLogP of 4.66, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-oxo-N-phenyl-2-(pyridin-2-ylmethyl)-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentanamide is sourced from PubChem (CID 149396130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).