2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide

C17H15F3N4O2 — CID 42610391

IUPAC2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1c[nH]c2ncccc12)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C17H15F3N4O2/c1-10(14-5-4-12(9-22-14)26-17(18,19)20)24-15(25)7-11-8-23-16-13(11)3-2-6-21-16/h2-6,8-10H,7H2,1H3,(H,21,23)(H,24,25)/t10-/m1/s1
InChIKeyULWBNJYMJQNXLC-SNVBAGLBSA-N
MW364.33 g/mol
LogP3.28
Rot. Bonds5

About 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide

2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide (PubChem CID 42610391) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide
PubChem CID42610391
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide
SMILESC[C@@H](NC(=O)Cc1c[nH]c2ncccc12)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C17H15F3N4O2/c1-10(14-5-4-12(9-22-14)26-17(18,19)20)24-15(25)7-11-8-23-16-13(11)3-2-6-21-16/h2-6,8-10H,7H2,1H3,(H,21,23)(H,24,25)/t10-/m1/s1
InChIKeyULWBNJYMJQNXLC-SNVBAGLBSA-N
XLogP3.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide?
The IUPAC name of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide (CID 42610391) is 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide.
What is the SMILES notation for 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide?
The canonical SMILES for 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide is C[C@@H](NC(=O)Cc1c[nH]c2ncccc12)c1ccc(OC(F)(F)F)cn1.
What is the InChIKey of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide?
The InChIKey is ULWBNJYMJQNXLC-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-10(14-5-4-12(9-22-14)26-17(18,19)20)24-15(25)7-11-8-23-16-13(11)3-2-6-21-16/h2-6,8-10H,7H2,1H3,(H,21,23)(H,24,25)/t10-/m1/s1.
What are the key properties of 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide?
2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide has a molecular weight of 364.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(1R)-1-[5-(trifluoromethoxy)-2-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 42610391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).