N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C26H23F3N4O3 — CID 118341198

IUPACN-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cnccc21
InChIInChI=1S/C26H23F3N4O3/c1-25(2,15-34)33-14-21(20-13-30-7-6-22(20)33)24(36)17-10-19(12-31-11-17)32-23(35)9-16-4-3-5-18(8-16)26(27,28)29/h3-8,10-14,34H,9,15H2,1-2H3,(H,32,35)
InChIKeyWYAROKBDTRGMID-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.59
Rot. Bonds7

About N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 118341198) has the molecular formula C26H23F3N4O3 and a molecular weight of 496.49 g/mol. Its IUPAC name is N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID118341198
Molecular FormulaC26H23F3N4O3
Molecular Weight496.49 g/mol
Exact Mass496.17
IUPAC NameN-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cnccc21
InChIInChI=1S/C26H23F3N4O3/c1-25(2,15-34)33-14-21(20-13-30-7-6-22(20)33)24(36)17-10-19(12-31-11-17)32-23(35)9-16-4-3-5-18(8-16)26(27,28)29/h3-8,10-14,34H,9,15H2,1-2H3,(H,32,35)
InChIKeyWYAROKBDTRGMID-UHFFFAOYSA-N
XLogP4.59
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 118341240
N-[5-[2-amino-7-(1-hydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 90683734
2-(4-cyanophenyl)-N-[5-[7-fluoro-1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]acetamide
CID 118341228
N-[5-[7-[1-(oxan-2-yloxy)propan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 70855730
N-[5-[1-(1-hydroxypropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[1-propan-2-yl-5-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 121231232
2-(3-chlorophenyl)-N-[5-(7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]acetamide
CID 90683720
N-[5-[2-amino-7-(1-hydroxypropan-2-yl)pyrrolo[2,3-d]pyrimidine-5-carbonyl]-3-pyridinyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 66571658
N-(3-chloro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 39959255
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
N-(2-propan-2-ylpyrazol-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 30183310
N-(2-ethoxypyrimidin-5-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122302066
N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 118341198) is N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CC(C)(CO)n1cc(C(=O)c2cncc(NC(=O)Cc3cccc(C(F)(F)F)c3)c2)c2cnccc21.
What is the InChIKey of N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WYAROKBDTRGMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O3/c1-25(2,15-34)33-14-21(20-13-30-7-6-22(20)33)24(36)17-10-19(12-31-11-17)32-23(35)9-16-4-3-5-18(8-16)26(27,28)29/h3-8,10-14,34H,9,15H2,1-2H3,(H,32,35).
What are the key properties of N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 496.49 g/mol, XLogP of 4.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(1-hydroxy-2-methylpropan-2-yl)pyrrolo[3,2-c]pyridine-3-carbonyl]-3-pyridinyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 118341198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).