N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide

C24H20F3N5O2 — CID 66908124

IUPACN-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2cccnc2n1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H20F3N5O2/c25-24(26,27)21(15-5-2-1-3-6-15)32-19(11-16-7-4-10-28-22(16)32)23(34)30-17-8-9-20(29-12-17)31-13-18(33)14-31/h1-12,18,21,33H,13-14H2,(H,30,34)
InChIKeyYNJGLIWBKBWTLT-UHFFFAOYSA-N
MW467.45 g/mol
LogP4.02
Rot. Bonds5

About N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide

N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 66908124) has the molecular formula C24H20F3N5O2 and a molecular weight of 467.45 g/mol. Its IUPAC name is N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID66908124
Molecular FormulaC24H20F3N5O2
Molecular Weight467.45 g/mol
Exact Mass467.16
IUPAC NameN-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2cccnc2n1C(c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H20F3N5O2/c25-24(26,27)21(15-5-2-1-3-6-15)32-19(11-16-7-4-10-28-22(16)32)23(34)30-17-8-9-20(29-12-17)31-13-18(33)14-31/h1-12,18,21,33H,13-14H2,(H,30,34)
InChIKeyYNJGLIWBKBWTLT-UHFFFAOYSA-N
XLogP4.02
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide (CID 66908124) is N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide is O=C(Nc1ccc(N2CC(O)C2)nc1)c1cc2cccnc2n1C(c1ccccc1)C(F)(F)F.
What is the InChIKey of N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is YNJGLIWBKBWTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O2/c25-24(26,27)21(15-5-2-1-3-6-15)32-19(11-16-7-4-10-28-22(16)32)23(34)30-17-8-9-20(29-12-17)31-13-18(33)14-31/h1-12,18,21,33H,13-14H2,(H,30,34).
What are the key properties of N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-hydroxyazetidin-1-yl)-3-pyridinyl]-1-(2,2,2-trifluoro-1-phenylethyl)pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 66908124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).