3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one

C19H16FN3O — CID 118606898

IUPAC3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1CCCc2[nH]c(-c3ccncc3)c(Nc3ccc(F)cc3)c21
InChIInChI=1S/C19H16FN3O/c20-13-4-6-14(7-5-13)22-19-17-15(2-1-3-16(17)24)23-18(19)12-8-10-21-11-9-12/h4-11,22-23H,1-3H2
InChIKeySJBCDTNIAGZAPV-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.48
Rot. Bonds3

About 3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one

3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 118606898) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
PubChem CID118606898
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one
SMILESO=C1CCCc2[nH]c(-c3ccncc3)c(Nc3ccc(F)cc3)c21
InChIInChI=1S/C19H16FN3O/c20-13-4-6-14(7-5-13)22-19-17-15(2-1-3-16(17)24)23-18(19)12-8-10-21-11-9-12/h4-11,22-23H,1-3H2
InChIKeySJBCDTNIAGZAPV-UHFFFAOYSA-N
XLogP4.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one (CID 118606898) is 3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one is O=C1CCCc2[nH]c(-c3ccncc3)c(Nc3ccc(F)cc3)c21.
What is the InChIKey of 3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is SJBCDTNIAGZAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c20-13-4-6-14(7-5-13)22-19-17-15(2-1-3-16(17)24)23-18(19)12-8-10-21-11-9-12/h4-11,22-23H,1-3H2.
What are the key properties of 3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one?
3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 321.36 g/mol, XLogP of 4.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-2-pyridin-4-yl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 118606898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).