N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

C22H17F3N4O — CID 134804988

IUPACN-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESO=C(Cc1c[nH]c2ncc(-c3ccccc3C(F)(F)F)cc12)NCc1cccnc1
InChIInChI=1S/C22H17F3N4O/c23-22(24,25)19-6-2-1-5-17(19)15-8-18-16(13-29-21(18)28-12-15)9-20(30)27-11-14-4-3-7-26-10-14/h1-8,10,12-13H,9,11H2,(H,27,30)(H,28,29)
InChIKeyFRPDZMCMBMCIAL-UHFFFAOYSA-N
MW410.40 g/mol
LogP4.50
Rot. Bonds5

About N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide

N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (PubChem CID 134804988) has the molecular formula C22H17F3N4O and a molecular weight of 410.40 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
PubChem CID134804988
Molecular FormulaC22H17F3N4O
Molecular Weight410.40 g/mol
Exact Mass410.14
IUPAC NameN-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide
SMILESO=C(Cc1c[nH]c2ncc(-c3ccccc3C(F)(F)F)cc12)NCc1cccnc1
InChIInChI=1S/C22H17F3N4O/c23-22(24,25)19-6-2-1-5-17(19)15-8-18-16(13-29-21(18)28-12-15)9-20(30)27-11-14-4-3-7-26-10-14/h1-8,10,12-13H,9,11H2,(H,27,30)(H,28,29)
InChIKeyFRPDZMCMBMCIAL-UHFFFAOYSA-N
XLogP4.50
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide (CID 134804988) is N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is O=C(Cc1c[nH]c2ncc(-c3ccccc3C(F)(F)F)cc12)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
The InChIKey is FRPDZMCMBMCIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O/c23-22(24,25)19-6-2-1-5-17(19)15-8-18-16(13-29-21(18)28-12-15)9-20(30)27-11-14-4-3-7-26-10-14/h1-8,10,12-13H,9,11H2,(H,27,30)(H,28,29).
What are the key properties of N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide?
N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide has a molecular weight of 410.40 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-[5-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]acetamide is sourced from PubChem (CID 134804988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).