2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid

C24H18F3N3O4 — CID 135525435

IUPAC2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NCCc2[nH]c(-c3ccnc(-c4ccc5cc(O)ccc5c4)c3)cc21
InChIInChI=1S/C22H17N3O2.C2HF3O2/c26-17-4-3-13-9-15(2-1-14(13)10-17)20-11-16(5-7-23-20)21-12-18-19(25-21)6-8-24-22(18)27;3-2(4,5)1(6)7/h1-5,7,9-12,25-26H,6,8H2,(H,24,27);(H,6,7)
InChIKeyVQXHMIMOSVQWDK-UHFFFAOYSA-N
MW469.42 g/mol
LogP4.52
Rot. Bonds2

About 2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid

2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid (PubChem CID 135525435) has the molecular formula C24H18F3N3O4 and a molecular weight of 469.42 g/mol. Its IUPAC name is 2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
PubChem CID135525435
Molecular FormulaC24H18F3N3O4
Molecular Weight469.42 g/mol
Exact Mass469.12
IUPAC Name2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C1NCCc2[nH]c(-c3ccnc(-c4ccc5cc(O)ccc5c4)c3)cc21
InChIInChI=1S/C22H17N3O2.C2HF3O2/c26-17-4-3-13-9-15(2-1-14(13)10-17)20-11-16(5-7-23-20)21-12-18-19(25-21)6-8-24-22(18)27;3-2(4,5)1(6)7/h1-5,7,9-12,25-26H,6,8H2,(H,24,27);(H,6,7)
InChIKeyVQXHMIMOSVQWDK-UHFFFAOYSA-N
XLogP4.52
TPSA115.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.42
LogP ≤ 54.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid (CID 135525435) is 2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C1NCCc2[nH]c(-c3ccnc(-c4ccc5cc(O)ccc5c4)c3)cc21.
What is the InChIKey of 2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
The InChIKey is VQXHMIMOSVQWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2.C2HF3O2/c26-17-4-3-13-9-15(2-1-14(13)10-17)20-11-16(5-7-23-20)21-12-18-19(25-21)6-8-24-22(18)27;3-2(4,5)1(6)7/h1-5,7,9-12,25-26H,6,8H2,(H,24,27);(H,6,7).
What are the key properties of 2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid?
2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid has a molecular weight of 469.42 g/mol, XLogP of 4.52, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-hydroxynaphthalen-2-yl)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135525435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).