N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C26H23F3N4O2 — CID 118393469

IUPACN-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ccc(C(C)(C)O)nc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C26H23F3N4O2/c1-25(2,35)22-12-11-21(23(31-22)16-7-5-4-6-8-16)30-24(34)17-9-10-19(26(27,28)29)18(15-17)20-13-14-33(3)32-20/h4-15,35H,1-3H3,(H,30,34)
InChIKeyKIENDSWMAVGBPG-UHFFFAOYSA-N
MW480.49 g/mol
LogP5.65
Rot. Bonds5

About N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393469) has the molecular formula C26H23F3N4O2 and a molecular weight of 480.49 g/mol. Its IUPAC name is N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID118393469
Molecular FormulaC26H23F3N4O2
Molecular Weight480.49 g/mol
Exact Mass480.18
IUPAC NameN-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
SMILESCn1ccc(-c2cc(C(=O)Nc3ccc(C(C)(C)O)nc3-c3ccccc3)ccc2C(F)(F)F)n1
InChIInChI=1S/C26H23F3N4O2/c1-25(2,35)22-12-11-21(23(31-22)16-7-5-4-6-8-16)30-24(34)17-9-10-19(26(27,28)29)18(15-17)20-13-14-33(3)32-20/h4-15,35H,1-3H3,(H,30,34)
InChIKeyKIENDSWMAVGBPG-UHFFFAOYSA-N
XLogP5.65
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.49
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393469) is N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3ccc(C(C)(C)O)nc3-c3ccccc3)ccc2C(F)(F)F)n1.
What is the InChIKey of N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is KIENDSWMAVGBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2/c1-25(2,35)22-12-11-21(23(31-22)16-7-5-4-6-8-16)30-24(34)17-9-10-19(26(27,28)29)18(15-17)20-13-14-33(3)32-20/h4-15,35H,1-3H3,(H,30,34).
What are the key properties of N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?
N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 480.49 g/mol, XLogP of 5.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-hydroxypropan-2-yl)-2-phenyl-3-pyridinyl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).