3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

C22H23FN4O3 — CID 142566481

IUPAC3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(O)COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2
InChIInChI=1S/C22H23FN4O3/c1-22(2,29)12-30-17-11-24-8-6-15(17)19-20(26-14-5-3-4-13(23)10-14)18-16(27-19)7-9-25-21(18)28/h3-6,8,10-11,26-27,29H,7,9,12H2,1-2H3,(H,25,28)
InChIKeyZUDVHJJXVRQLTD-UHFFFAOYSA-N
MW410.45 g/mol
LogP3.39
Rot. Bonds6

About 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one

3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 142566481) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID142566481
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESCC(C)(O)COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2
InChIInChI=1S/C22H23FN4O3/c1-22(2,29)12-30-17-11-24-8-6-15(17)19-20(26-14-5-3-4-13(23)10-14)18-16(27-19)7-9-25-21(18)28/h3-6,8,10-11,26-27,29H,7,9,12H2,1-2H3,(H,25,28)
InChIKeyZUDVHJJXVRQLTD-UHFFFAOYSA-N
XLogP3.39
TPSA99.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 53.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 142566481) is 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is CC(C)(O)COc1cnccc1-c1[nH]c2c(c1Nc1cccc(F)c1)C(=O)NCC2.
What is the InChIKey of 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZUDVHJJXVRQLTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-22(2,29)12-30-17-11-24-8-6-15(17)19-20(26-14-5-3-4-13(23)10-14)18-16(27-19)7-9-25-21(18)28/h3-6,8,10-11,26-27,29H,7,9,12H2,1-2H3,(H,25,28).
What are the key properties of 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 410.45 g/mol, XLogP of 3.39, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-2-[3-(2-hydroxy-2-methylpropoxy)-4-pyridinyl]-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 142566481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).