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

C20H15F3N4 — CID 141359883

IUPAC5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFC(F)(F)c1ccccc1Nc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C20H15F3N4/c21-20(22,23)16-5-1-2-6-17(16)27-18-8-7-13(11-25-18)10-14-12-26-19-15(14)4-3-9-24-19/h1-9,11-12H,10H2,(H,24,26)(H,25,27)
InChIKeyAGKCZVNAATYAHL-UHFFFAOYSA-N
MW368.36 g/mol
LogP5.31
Rot. Bonds4

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

5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine (PubChem CID 141359883) has the molecular formula C20H15F3N4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine
PubChem CID141359883
Molecular FormulaC20H15F3N4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine
SMILESFC(F)(F)c1ccccc1Nc1ccc(Cc2c[nH]c3ncccc23)cn1
InChIInChI=1S/C20H15F3N4/c21-20(22,23)16-5-1-2-6-17(16)27-18-8-7-13(11-25-18)10-14-12-26-19-15(14)4-3-9-24-19/h1-9,11-12H,10H2,(H,24,26)(H,25,27)
InChIKeyAGKCZVNAATYAHL-UHFFFAOYSA-N
XLogP5.31
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.36
LogP ≤ 55.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
The IUPAC name of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine (CID 141359883) is 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine.
What is the SMILES notation for 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
The canonical SMILES for 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine is FC(F)(F)c1ccccc1Nc1ccc(Cc2c[nH]c3ncccc23)cn1.
What is the InChIKey of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
The InChIKey is AGKCZVNAATYAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4/c21-20(22,23)16-5-1-2-6-17(16)27-18-8-7-13(11-25-18)10-14-12-26-19-15(14)4-3-9-24-19/h1-9,11-12H,10H2,(H,24,26)(H,25,27).
What are the key properties of 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine?
5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine has a molecular weight of 368.36 g/mol, XLogP of 5.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-N-[2-(trifluoromethyl)phenyl]pyridin-2-amine is sourced from PubChem (CID 141359883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).