N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid

C26H29F3N8O5 — CID 69299723

IUPACN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3cccc(NC(C)=O)c3)ncc(OCC3CCNCC3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28N8O3.C2HF3O2/c1-3-32-22-18(34-13-15-7-9-26-10-8-15)12-27-19(16-5-4-6-17(11-16)28-14(2)33)20(22)29-24(32)21-23(25)31-35-30-21;3-2(4,5)1(6)7/h4-6,11-12,15,26H,3,7-10,13H2,1-2H3,(H2,25,31)(H,28,33);(H,6,7)
InChIKeySNVZAIVOCTUVRP-UHFFFAOYSA-N
MW590.56 g/mol
LogP3.72
Rot. Bonds7

About N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 69299723) has the molecular formula C26H29F3N8O5 and a molecular weight of 590.56 g/mol. Its IUPAC name is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
PubChem CID69299723
Molecular FormulaC26H29F3N8O5
Molecular Weight590.56 g/mol
Exact Mass590.22
IUPAC NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3cccc(NC(C)=O)c3)ncc(OCC3CCNCC3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C24H28N8O3.C2HF3O2/c1-3-32-22-18(34-13-15-7-9-26-10-8-15)12-27-19(16-5-4-6-17(11-16)28-14(2)33)20(22)29-24(32)21-23(25)31-35-30-21;3-2(4,5)1(6)7/h4-6,11-12,15,26H,3,7-10,13H2,1-2H3,(H2,25,31)(H,28,33);(H,6,7)
InChIKeySNVZAIVOCTUVRP-UHFFFAOYSA-N
XLogP3.72
TPSA183.31 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500590.56
LogP ≤ 53.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid (CID 69299723) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid is CCn1c(-c2nonc2N)nc2c(-c3cccc(NC(C)=O)c3)ncc(OCC3CCNCC3)c21.O=C(O)C(F)(F)F.
What is the InChIKey of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is SNVZAIVOCTUVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O3.C2HF3O2/c1-3-32-22-18(34-13-15-7-9-26-10-8-15)12-27-19(16-5-4-6-17(11-16)28-14(2)33)20(22)29-24(32)21-23(25)31-35-30-21;3-2(4,5)1(6)7/h4-6,11-12,15,26H,3,7-10,13H2,1-2H3,(H2,25,31)(H,28,33);(H,6,7).
What are the key properties of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid?
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 590.56 g/mol, XLogP of 3.72, 7 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(piperidin-4-ylmethoxy)imidazo[4,5-c]pyridin-4-yl]phenyl]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69299723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).