6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide

C23H21F3N8O2 — CID 166484910

IUPAC6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(N5CCOCC5)cc4)nc3C(F)(F)F)cncc21
InChIInChI=1S/C23H21F3N8O2/c1-33-12-29-17-15(10-28-11-16(17)33)18-20(23(24,25)26)32-22(19(31-18)21(27)35)30-13-2-4-14(5-3-13)34-6-8-36-9-7-34/h2-5,10-12H,6-9H2,1H3,(H2,27,35)(H,30,32)
InChIKeyQAAPNQHOXOZPHO-UHFFFAOYSA-N
MW498.47 g/mol
LogP3.12
Rot. Bonds5

About 6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide

6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 166484910) has the molecular formula C23H21F3N8O2 and a molecular weight of 498.47 g/mol. Its IUPAC name is 6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide
PubChem CID166484910
Molecular FormulaC23H21F3N8O2
Molecular Weight498.47 g/mol
Exact Mass498.17
IUPAC Name6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide
SMILESCn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(N5CCOCC5)cc4)nc3C(F)(F)F)cncc21
InChIInChI=1S/C23H21F3N8O2/c1-33-12-29-17-15(10-28-11-16(17)33)18-20(23(24,25)26)32-22(19(31-18)21(27)35)30-13-2-4-14(5-3-13)34-6-8-36-9-7-34/h2-5,10-12H,6-9H2,1H3,(H2,27,35)(H,30,32)
InChIKeyQAAPNQHOXOZPHO-UHFFFAOYSA-N
XLogP3.12
TPSA124.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.47
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide?
The IUPAC name of 6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide (CID 166484910) is 6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide is Cn1cnc2c(-c3nc(C(N)=O)c(Nc4ccc(N5CCOCC5)cc4)nc3C(F)(F)F)cncc21.
What is the InChIKey of 6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide?
The InChIKey is QAAPNQHOXOZPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N8O2/c1-33-12-29-17-15(10-28-11-16(17)33)18-20(23(24,25)26)32-22(19(31-18)21(27)35)30-13-2-4-14(5-3-13)34-6-8-36-9-7-34/h2-5,10-12H,6-9H2,1H3,(H2,27,35)(H,30,32).
What are the key properties of 6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide?
6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 498.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-(4-morpholin-4-ylanilino)-5-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 166484910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).