1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

C20H19FN4O — CID 122442124

IUPAC1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCn1c2c(c(Nc3ccc(F)cc3)c1-c1ccncc1)C(=O)NCC2
InChIInChI=1S/C20H19FN4O/c1-2-25-16-9-12-23-20(26)17(16)18(19(25)13-7-10-22-11-8-13)24-15-5-3-14(21)4-6-15/h3-8,10-11,24H,2,9,12H2,1H3,(H,23,26)
InChIKeyZFBPEJIHPQLPQW-UHFFFAOYSA-N
MW350.40 g/mol
LogP3.74
Rot. Bonds4

About 1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one

1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 122442124) has the molecular formula C20H19FN4O and a molecular weight of 350.40 g/mol. Its IUPAC name is 1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
PubChem CID122442124
Molecular FormulaC20H19FN4O
Molecular Weight350.40 g/mol
Exact Mass350.15
IUPAC Name1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
SMILESCCn1c2c(c(Nc3ccc(F)cc3)c1-c1ccncc1)C(=O)NCC2
InChIInChI=1S/C20H19FN4O/c1-2-25-16-9-12-23-20(26)17(16)18(19(25)13-7-10-22-11-8-13)24-15-5-3-14(21)4-6-15/h3-8,10-11,24H,2,9,12H2,1H3,(H,23,26)
InChIKeyZFBPEJIHPQLPQW-UHFFFAOYSA-N
XLogP3.74
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The IUPAC name of 1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one (CID 122442124) is 1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one.
What is the SMILES notation for 1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The canonical SMILES for 1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is CCn1c2c(c(Nc3ccc(F)cc3)c1-c1ccncc1)C(=O)NCC2.
What is the InChIKey of 1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
The InChIKey is ZFBPEJIHPQLPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O/c1-2-25-16-9-12-23-20(26)17(16)18(19(25)13-7-10-22-11-8-13)24-15-5-3-14(21)4-6-15/h3-8,10-11,24H,2,9,12H2,1H3,(H,23,26).
What are the key properties of 1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one?
1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 350.40 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-fluoroanilino)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 122442124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).