4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide

C22H20F3N3O2 — CID 66563218

IUPAC4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide
SMILESNC(=O)c1ccc(-c2c3n(c4ccccc24)C(=O)CCC3)cc1NCCC(F)(F)F
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)10-11-27-16-12-13(8-9-14(16)21(26)30)20-15-4-1-2-5-17(15)28-18(20)6-3-7-19(28)29/h1-2,4-5,8-9,12,27H,3,6-7,10-11H2,(H2,26,30)
InChIKeyXVNQBKARYWDEAK-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.75
Rot. Bonds5

About 4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide

4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide (PubChem CID 66563218) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is 4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide.

Molecular Properties

Compound Name4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide
PubChem CID66563218
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide
SMILESNC(=O)c1ccc(-c2c3n(c4ccccc24)C(=O)CCC3)cc1NCCC(F)(F)F
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)10-11-27-16-12-13(8-9-14(16)21(26)30)20-15-4-1-2-5-17(15)28-18(20)6-3-7-19(28)29/h1-2,4-5,8-9,12,27H,3,6-7,10-11H2,(H2,26,30)
InChIKeyXVNQBKARYWDEAK-UHFFFAOYSA-N
XLogP4.75
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide?
The IUPAC name of 4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide (CID 66563218) is 4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide.
What is the SMILES notation for 4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide?
The canonical SMILES for 4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide is NC(=O)c1ccc(-c2c3n(c4ccccc24)C(=O)CCC3)cc1NCCC(F)(F)F.
What is the InChIKey of 4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide?
The InChIKey is XVNQBKARYWDEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)10-11-27-16-12-13(8-9-14(16)21(26)30)20-15-4-1-2-5-17(15)28-18(20)6-3-7-19(28)29/h1-2,4-5,8-9,12,27H,3,6-7,10-11H2,(H2,26,30).
What are the key properties of 4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide?
4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide has a molecular weight of 415.42 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-oxo-8,9-dihydro-7H-pyrido[1,2-a]indol-10-yl)-2-(3,3,3-trifluoropropylamino)benzamide is sourced from PubChem (CID 66563218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).