N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C24H25F3N8O4 — CID 69298089

IUPACN-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(NC(=O)C3CCNCC3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N8O2.C2HF3O2/c1-2-30-19-15(26-22(31)14-8-10-24-11-9-14)12-25-16(13-6-4-3-5-7-13)17(19)27-21(30)18-20(23)29-32-28-18;3-2(4,5)1(6)7/h3-7,12,14,24H,2,8-11H2,1H3,(H2,23,29)(H,26,31);(H,6,7)
InChIKeyYOKVFFFJBNLRHV-UHFFFAOYSA-N
MW546.51 g/mol
LogP3.32
Rot. Bonds5

About N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 69298089) has the molecular formula C24H25F3N8O4 and a molecular weight of 546.51 g/mol. Its IUPAC name is N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID69298089
Molecular FormulaC24H25F3N8O4
Molecular Weight546.51 g/mol
Exact Mass546.20
IUPAC NameN-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(NC(=O)C3CCNCC3)c21.O=C(O)C(F)(F)F
InChIInChI=1S/C22H24N8O2.C2HF3O2/c1-2-30-19-15(26-22(31)14-8-10-24-11-9-14)12-25-16(13-6-4-3-5-7-13)17(19)27-21(30)18-20(23)29-32-28-18;3-2(4,5)1(6)7/h3-7,12,14,24H,2,8-11H2,1H3,(H2,23,29)(H,26,31);(H,6,7)
InChIKeyYOKVFFFJBNLRHV-UHFFFAOYSA-N
XLogP3.32
TPSA174.08 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.51
LogP ≤ 53.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 69298089) is N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(NC(=O)C3CCNCC3)c21.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YOKVFFFJBNLRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2.C2HF3O2/c1-2-30-19-15(26-22(31)14-8-10-24-11-9-14)12-25-16(13-6-4-3-5-7-13)17(19)27-21(30)18-20(23)29-32-28-18;3-2(4,5)1(6)7/h3-7,12,14,24H,2,8-11H2,1H3,(H2,23,29)(H,26,31);(H,6,7).
What are the key properties of N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 546.51 g/mol, XLogP of 3.32, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 69298089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).