N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C24H19F3N8O4 — CID 68872480

IUPACN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCC(F)(F)F)nc4)c3)cc21
InChIInChI=1S/C24H19F3N8O4/c1-2-35-17-9-19(30-11-16(17)32-22(35)20-21(28)34-39-33-20)38-15-5-3-4-14(8-15)31-23(36)13-6-7-18(29-10-13)37-12-24(25,26)27/h3-11H,2,12H2,1H3,(H2,28,34)(H,31,36)
InChIKeyHZABHBSBFSQZEV-UHFFFAOYSA-N
MW540.46 g/mol
LogP4.46
Rot. Bonds8

About N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 68872480) has the molecular formula C24H19F3N8O4 and a molecular weight of 540.46 g/mol. Its IUPAC name is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID68872480
Molecular FormulaC24H19F3N8O4
Molecular Weight540.46 g/mol
Exact Mass540.15
IUPAC NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCC(F)(F)F)nc4)c3)cc21
InChIInChI=1S/C24H19F3N8O4/c1-2-35-17-9-19(30-11-16(17)32-22(35)20-21(28)34-39-33-20)38-15-5-3-4-14(8-15)31-23(36)13-6-7-18(29-10-13)37-12-24(25,26)27/h3-11H,2,12H2,1H3,(H2,28,34)(H,31,36)
InChIKeyHZABHBSBFSQZEV-UHFFFAOYSA-N
XLogP4.46
TPSA156.10 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide 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-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 68872480) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCC(F)(F)F)nc4)c3)cc21.
What is the InChIKey of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is HZABHBSBFSQZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N8O4/c1-2-35-17-9-19(30-11-16(17)32-22(35)20-21(28)34-39-33-20)38-15-5-3-4-14(8-15)31-23(36)13-6-7-18(29-10-13)37-12-24(25,26)27/h3-11H,2,12H2,1H3,(H2,28,34)(H,31,36).
What are the key properties of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 540.46 g/mol, XLogP of 4.46, 8 rotatable bonds, 2 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-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 68872480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).