7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

C26H25F6N9O2 — CID 174240477

IUPAC7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCc1c(-c2cc(NC(C)c3cncc(C(F)(F)F)c3)n3c(C#N)cnc3c2)nnn1C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24F3N9.C2HF3O2/c1-14(17-7-18(12-30-11-17)24(25,26)27)32-22-9-16(8-21-31-13-20(10-28)35(21)22)23-15(2)36(34-33-23)19-3-5-29-6-4-19;3-2(4,5)1(6)7/h7-9,11-14,19,29,32H,3-6H2,1-2H3;(H,6,7)
InChIKeyYBJQKEDHNTZESU-UHFFFAOYSA-N
MW609.54 g/mol
LogP4.92
Rot. Bonds5

About 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 174240477) has the molecular formula C26H25F6N9O2 and a molecular weight of 609.54 g/mol. Its IUPAC name is 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID174240477
Molecular FormulaC26H25F6N9O2
Molecular Weight609.54 g/mol
Exact Mass609.20
IUPAC Name7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
SMILESCc1c(-c2cc(NC(C)c3cncc(C(F)(F)F)c3)n3c(C#N)cnc3c2)nnn1C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C24H24F3N9.C2HF3O2/c1-14(17-7-18(12-30-11-17)24(25,26)27)32-22-9-16(8-21-31-13-20(10-28)35(21)22)23-15(2)36(34-33-23)19-3-5-29-6-4-19;3-2(4,5)1(6)7/h7-9,11-14,19,29,32H,3-6H2,1-2H3;(H,6,7)
InChIKeyYBJQKEDHNTZESU-UHFFFAOYSA-N
XLogP4.92
TPSA146.05 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500609.54
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid (CID 174240477) is 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is Cc1c(-c2cc(NC(C)c3cncc(C(F)(F)F)c3)n3c(C#N)cnc3c2)nnn1C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is YBJQKEDHNTZESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N9.C2HF3O2/c1-14(17-7-18(12-30-11-17)24(25,26)27)32-22-9-16(8-21-31-13-20(10-28)35(21)22)23-15(2)36(34-33-23)19-3-5-29-6-4-19;3-2(4,5)1(6)7/h7-9,11-14,19,29,32H,3-6H2,1-2H3;(H,6,7).
What are the key properties of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid?
7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 609.54 g/mol, XLogP of 4.92, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethyl)-3-pyridinyl]ethylamino]imidazo[1,2-a]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174240477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).