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2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one

C22H23FN4O — CID 118607324

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one
SMILESCC(C)C1CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN4O/c1-12(2)14-9-17-20(18(28)10-14)22(26-16-5-3-15(23)4-6-16)21(27-17)13-7-8-25-19(24)11-13/h3-8,11-12,14,26-27H,9-10H2,1-2H3,(H2,24,25)
InChIKeyPMJOZUJXFOPKDD-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.94
Rot. Bonds4

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

2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one (PubChem CID 118607324) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one
PubChem CID118607324
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one
SMILESCC(C)C1CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Nc2ccc(F)cc2)C1
InChIInChI=1S/C22H23FN4O/c1-12(2)14-9-17-20(18(28)10-14)22(26-16-5-3-15(23)4-6-16)21(27-17)13-7-8-25-19(24)11-13/h3-8,11-12,14,26-27H,9-10H2,1-2H3,(H2,24,25)
InChIKeyPMJOZUJXFOPKDD-UHFFFAOYSA-N
XLogP4.94
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one?
The IUPAC name of 2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one (CID 118607324) is 2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one is CC(C)C1CC(=O)c2c([nH]c(-c3ccnc(N)c3)c2Nc2ccc(F)cc2)C1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one?
The InChIKey is PMJOZUJXFOPKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-12(2)14-9-17-20(18(28)10-14)22(26-16-5-3-15(23)4-6-16)21(27-17)13-7-8-25-19(24)11-13/h3-8,11-12,14,26-27H,9-10H2,1-2H3,(H2,24,25).
What are the key properties of 2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one?
2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one has a molecular weight of 378.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-3-(4-fluoroanilino)-6-propan-2-yl-1,5,6,7-tetrahydroindol-4-one is sourced from PubChem (CID 118607324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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