2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

C27H25F3N8O4 — CID 69297801

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3cccc4ccccc34)ncc(C(=O)NC3CCNC3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C25H24N8O2.C2HF3O2/c1-2-33-22-18(25(34)29-15-10-11-27-12-15)13-28-19(17-9-5-7-14-6-3-4-8-16(14)17)20(22)30-24(33)21-23(26)32-35-31-21;3-2(4,5)1(6)7/h3-9,13,15,27H,2,10-12H2,1H3,(H2,26,32)(H,29,34);(H,6,7)
InChIKeyYGDBFUQVIZBJQC-UHFFFAOYSA-N
MW582.54 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid

2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69297801) has the molecular formula C27H25F3N8O4 and a molecular weight of 582.54 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69297801
Molecular FormulaC27H25F3N8O4
Molecular Weight582.54 g/mol
Exact Mass582.20
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3cccc4ccccc34)ncc(C(=O)NC3CCNC3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C25H24N8O2.C2HF3O2/c1-2-33-22-18(25(34)29-15-10-11-27-12-15)13-28-19(17-9-5-7-14-6-3-4-8-16(14)17)20(22)30-24(33)21-23(26)32-35-31-21;3-2(4,5)1(6)7/h3-9,13,15,27H,2,10-12H2,1H3,(H2,26,32)(H,29,34);(H,6,7)
InChIKeyYGDBFUQVIZBJQC-UHFFFAOYSA-N
XLogP3.63
TPSA174.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.54
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 69297801) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is CCn1c(-c2nonc2N)nc2c(-c3cccc4ccccc34)ncc(C(=O)NC3CCNC3)c21.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YGDBFUQVIZBJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N8O2.C2HF3O2/c1-2-33-22-18(25(34)29-15-10-11-27-12-15)13-28-19(17-9-5-7-14-6-3-4-8-16(14)17)20(22)30-24(33)21-23(26)32-35-31-21;3-2(4,5)1(6)7/h3-9,13,15,27H,2,10-12H2,1H3,(H2,26,32)(H,29,34);(H,6,7).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 582.54 g/mol, XLogP of 3.63, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-naphthalen-1-yl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69297801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).