7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide

C22H18F3N5O2 — CID 66605125

IUPAC7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)nc2)nc2c1[nH]c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C22H18F3N5O2/c23-22(24,25)18-4-1-12(11-27-18)16-10-15(21(26)31)20-19(28-16)14-3-2-13(9-17(14)29-20)30-5-7-32-8-6-30/h1-4,9-11,29H,5-8H2,(H2,26,31)
InChIKeyTXOBNEMMWNVWBY-UHFFFAOYSA-N
MW441.41 g/mol
LogP3.73
Rot. Bonds3

About 7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide

7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605125) has the molecular formula C22H18F3N5O2 and a molecular weight of 441.41 g/mol. Its IUPAC name is 7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605125
Molecular FormulaC22H18F3N5O2
Molecular Weight441.41 g/mol
Exact Mass441.14
IUPAC Name7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(F)(F)F)nc2)nc2c1[nH]c1cc(N3CCOCC3)ccc12
InChIInChI=1S/C22H18F3N5O2/c23-22(24,25)18-4-1-12(11-27-18)16-10-15(21(26)31)20-19(28-16)14-3-2-13(9-17(14)29-20)30-5-7-32-8-6-30/h1-4,9-11,29H,5-8H2,(H2,26,31)
InChIKeyTXOBNEMMWNVWBY-UHFFFAOYSA-N
XLogP3.73
TPSA97.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605125) is 7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccc(C(F)(F)F)nc2)nc2c1[nH]c1cc(N3CCOCC3)ccc12.
What is the InChIKey of 7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is TXOBNEMMWNVWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3N5O2/c23-22(24,25)18-4-1-12(11-27-18)16-10-15(21(26)31)20-19(28-16)14-3-2-13(9-17(14)29-20)30-5-7-32-8-6-30/h1-4,9-11,29H,5-8H2,(H2,26,31).
What are the key properties of 7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide?
7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 441.41 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-yl-2-[6-(trifluoromethyl)-3-pyridinyl]-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).