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

C25H21FN4O2 — CID 142566514

IUPAC3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccncc3OCc3ccccc3)c(Nc3cccc(F)c3)c21
InChIInChI=1S/C25H21FN4O2/c26-17-7-4-8-18(13-17)29-24-22-20(10-12-28-25(22)31)30-23(24)19-9-11-27-14-21(19)32-15-16-5-2-1-3-6-16/h1-9,11,13-14,29-30H,10,12,15H2,(H,28,31)
InChIKeyFARPSWJZKZWGJX-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.82
Rot. Bonds6

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

3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (PubChem CID 142566514) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is 3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
PubChem CID142566514
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC Name3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
SMILESO=C1NCCc2[nH]c(-c3ccncc3OCc3ccccc3)c(Nc3cccc(F)c3)c21
InChIInChI=1S/C25H21FN4O2/c26-17-7-4-8-18(13-17)29-24-22-20(10-12-28-25(22)31)30-23(24)19-9-11-27-14-21(19)32-15-16-5-2-1-3-6-16/h1-9,11,13-14,29-30H,10,12,15H2,(H,28,31)
InChIKeyFARPSWJZKZWGJX-UHFFFAOYSA-N
XLogP4.82
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(3-fluoroanilino)-2-(3-phenylmethoxy-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-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one (CID 142566514) is 3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is O=C1NCCc2[nH]c(-c3ccncc3OCc3ccccc3)c(Nc3cccc(F)c3)c21.
What is the InChIKey of 3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
The InChIKey is FARPSWJZKZWGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c26-17-7-4-8-18(13-17)29-24-22-20(10-12-28-25(22)31)30-23(24)19-9-11-27-14-21(19)32-15-16-5-2-1-3-6-16/h1-9,11,13-14,29-30H,10,12,15H2,(H,28,31).
What are the key properties of 3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one?
3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one has a molecular weight of 428.47 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroanilino)-2-(3-phenylmethoxy-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 142566514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).