[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

C23H23F3N8O2 — CID 68900697

IUPAC[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cnc(-c3ccccc3)c3nc(-c4nonc4N)n(CC(F)(F)F)c23)C1
InChIInChI=1S/C23H23F3N8O2/c1-32(2)14-8-9-33(11-14)22(35)15-10-28-16(13-6-4-3-5-7-13)17-19(15)34(12-23(24,25)26)21(29-17)18-20(27)31-36-30-18/h3-7,10,14H,8-9,11-12H2,1-2H3,(H2,27,31)
InChIKeyFOUJQDYZKWLJAY-UHFFFAOYSA-N
MW500.49 g/mol
LogP3.07
Rot. Bonds5

About [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone

[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (PubChem CID 68900697) has the molecular formula C23H23F3N8O2 and a molecular weight of 500.49 g/mol. Its IUPAC name is [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
PubChem CID68900697
Molecular FormulaC23H23F3N8O2
Molecular Weight500.49 g/mol
Exact Mass500.19
IUPAC Name[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone
SMILESCN(C)C1CCN(C(=O)c2cnc(-c3ccccc3)c3nc(-c4nonc4N)n(CC(F)(F)F)c23)C1
InChIInChI=1S/C23H23F3N8O2/c1-32(2)14-8-9-33(11-14)22(35)15-10-28-16(13-6-4-3-5-7-13)17-19(15)34(12-23(24,25)26)21(29-17)18-20(27)31-36-30-18/h3-7,10,14H,8-9,11-12H2,1-2H3,(H2,27,31)
InChIKeyFOUJQDYZKWLJAY-UHFFFAOYSA-N
XLogP3.07
TPSA119.20 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone (CID 68900697) is [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is CN(C)C1CCN(C(=O)c2cnc(-c3ccccc3)c3nc(-c4nonc4N)n(CC(F)(F)F)c23)C1.
What is the InChIKey of [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is FOUJQDYZKWLJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N8O2/c1-32(2)14-8-9-33(11-14)22(35)15-10-28-16(13-6-4-3-5-7-13)17-19(15)34(12-23(24,25)26)21(29-17)18-20(27)31-36-30-18/h3-7,10,14H,8-9,11-12H2,1-2H3,(H2,27,31).
What are the key properties of [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone?
[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 500.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-amino-1,2,5-oxadiazol-3-yl)-4-phenyl-1-(2,2,2-trifluoroethyl)imidazo[4,5-c]pyridin-7-yl]-[3-(dimethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 68900697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).