3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C26H24N4O2 — CID 122442108

IUPAC3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCN1CCc2[nH]c(-c3ccncc3OCc3ccccc3)c(Nc3ccccc3)c2C1=O
InChIInChI=1S/C26H24N4O2/c1-30-15-13-21-23(26(30)31)25(28-19-10-6-3-7-11-19)24(29-21)20-12-14-27-16-22(20)32-17-18-8-4-2-5-9-18/h2-12,14,16,28-29H,13,15,17H2,1H3
InChIKeyLKDBYXFAZLMYQU-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.03
Rot. Bonds6

About 3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 122442108) has the molecular formula C26H24N4O2 and a molecular weight of 424.50 g/mol. Its IUPAC name is 3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID122442108
Molecular FormulaC26H24N4O2
Molecular Weight424.50 g/mol
Exact Mass424.19
IUPAC Name3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
SMILESCN1CCc2[nH]c(-c3ccncc3OCc3ccccc3)c(Nc3ccccc3)c2C1=O
InChIInChI=1S/C26H24N4O2/c1-30-15-13-21-23(26(30)31)25(28-19-10-6-3-7-11-19)24(29-21)20-12-14-27-16-22(20)32-17-18-8-4-2-5-9-18/h2-12,14,16,28-29H,13,15,17H2,1H3
InChIKeyLKDBYXFAZLMYQU-UHFFFAOYSA-N
XLogP5.03
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 122442108) is 3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is CN1CCc2[nH]c(-c3ccncc3OCc3ccccc3)c(Nc3ccccc3)c2C1=O.
What is the InChIKey of 3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is LKDBYXFAZLMYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O2/c1-30-15-13-21-23(26(30)31)25(28-19-10-6-3-7-11-19)24(29-21)20-12-14-27-16-22(20)32-17-18-8-4-2-5-9-18/h2-12,14,16,28-29H,13,15,17H2,1H3.
What are the key properties of 3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?
3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 424.50 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-5-methyl-2-(3-phenylmethoxy-4-pyridinyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 122442108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).