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

C23H23F3N8O4 — CID 69296525

IUPAC2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)NC3CCNC3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22N8O2.C2HF3O2/c1-2-29-18-14(21(30)25-13-8-9-23-10-13)11-24-15(12-6-4-3-5-7-12)16(18)26-20(29)17-19(22)28-31-27-17;3-2(4,5)1(6)7/h3-7,11,13,23H,2,8-10H2,1H3,(H2,22,28)(H,25,30);(H,6,7)
InChIKeyCRNPBONVCGCHBC-UHFFFAOYSA-N
MW532.48 g/mol
LogP2.48
Rot. Bonds5

About 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenyl-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-phenyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69296525) has the molecular formula C23H23F3N8O4 and a molecular weight of 532.48 g/mol. Its IUPAC name is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenyl-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-phenyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69296525
Molecular FormulaC23H23F3N8O4
Molecular Weight532.48 g/mol
Exact Mass532.18
IUPAC Name2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(C(=O)NC3CCNC3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C21H22N8O2.C2HF3O2/c1-2-29-18-14(21(30)25-13-8-9-23-10-13)11-24-15(12-6-4-3-5-7-12)16(18)26-20(29)17-19(22)28-31-27-17;3-2(4,5)1(6)7/h3-7,11,13,23H,2,8-10H2,1H3,(H2,22,28)(H,25,30);(H,6,7)
InChIKeyCRNPBONVCGCHBC-UHFFFAOYSA-N
XLogP2.48
TPSA174.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.48
LogP ≤ 52.48
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-phenyl-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-phenyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 69296525) is 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenyl-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-phenyl-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-phenyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)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-phenyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CRNPBONVCGCHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8O2.C2HF3O2/c1-2-29-18-14(21(30)25-13-8-9-23-10-13)11-24-15(12-6-4-3-5-7-12)16(18)26-20(29)17-19(22)28-31-27-17;3-2(4,5)1(6)7/h3-7,11,13,23H,2,8-10H2,1H3,(H2,22,28)(H,25,30);(H,6,7).
What are the key properties of 2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenyl-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-phenyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 532.48 g/mol, XLogP of 2.48, 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-phenyl-N-pyrrolidin-3-ylimidazo[4,5-c]pyridine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69296525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).