7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide

C24H19F3N4O3 — CID 46833028

IUPAC7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H19F3N4O3/c25-24(26,27)15-4-1-13(2-5-15)18-12-17(22(28)32)21-20(29-18)16-6-3-14(11-19(16)30-21)23(33)31-7-9-34-10-8-31/h1-6,11-12,30H,7-10H2,(H2,28,32)
InChIKeyGXAFSMUDHRIJRA-UHFFFAOYSA-N
MW468.44 g/mol
LogP3.97
Rot. Bonds3

About 7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide

7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 46833028) has the molecular formula C24H19F3N4O3 and a molecular weight of 468.44 g/mol. Its IUPAC name is 7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID46833028
Molecular FormulaC24H19F3N4O3
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Name7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C24H19F3N4O3/c25-24(26,27)15-4-1-13(2-5-15)18-12-17(22(28)32)21-20(29-18)16-6-3-14(11-19(16)30-21)23(33)31-7-9-34-10-8-31/h1-6,11-12,30H,7-10H2,(H2,28,32)
InChIKeyGXAFSMUDHRIJRA-UHFFFAOYSA-N
XLogP3.97
TPSA101.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide (CID 46833028) is 7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc(C(F)(F)F)cc2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is GXAFSMUDHRIJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O3/c25-24(26,27)15-4-1-13(2-5-15)18-12-17(22(28)32)21-20(29-18)16-6-3-14(11-19(16)30-21)23(33)31-7-9-34-10-8-31/h1-6,11-12,30H,7-10H2,(H2,28,32).
What are the key properties of 7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholine-4-carbonyl)-2-[4-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 46833028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).