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

C23H19F3N4O2 — CID 66605206

IUPAC7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C23H19F3N4O2/c24-23(25,26)14-3-1-2-13(10-14)18-12-17(22(27)31)21-20(28-18)16-5-4-15(11-19(16)29-21)30-6-8-32-9-7-30/h1-5,10-12,29H,6-9H2,(H2,27,31)
InChIKeyNTIFSSMNYHZCFD-UHFFFAOYSA-N
MW440.43 g/mol
LogP4.34
Rot. Bonds3

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

7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605206) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605206
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C23H19F3N4O2/c24-23(25,26)14-3-1-2-13(10-14)18-12-17(22(27)31)21-20(28-18)16-5-4-15(11-19(16)29-21)30-6-8-32-9-7-30/h1-5,10-12,29H,6-9H2,(H2,27,31)
InChIKeyNTIFSSMNYHZCFD-UHFFFAOYSA-N
XLogP4.34
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.43
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605206) is 7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c1cc(N3CCOCC3)ccc12.
What is the InChIKey of 7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is NTIFSSMNYHZCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c24-23(25,26)14-3-1-2-13(10-14)18-12-17(22(27)31)21-20(28-18)16-5-4-15(11-19(16)29-21)30-6-8-32-9-7-30/h1-5,10-12,29H,6-9H2,(H2,27,31).
What are the key properties of 7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 440.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).