N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide

C20H23F3N8O4 — CID 178008054

IUPACN-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)(OCC(NC(=O)c1cnon1)c1nc2ncc(CN3CCCNC3=O)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C20H23F3N8O4/c1-19(2,20(21,22)23)34-10-14(28-17(32)13-8-26-35-30-13)16-27-12-6-11(7-25-15(12)29-16)9-31-5-3-4-24-18(31)33/h6-8,14H,3-5,9-10H2,1-2H3,(H,24,33)(H,28,32)(H,25,27,29)
InChIKeyDTWOYNJBHLHLFN-UHFFFAOYSA-N
MW496.45 g/mol
LogP2.08
Rot. Bonds8

About N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide

N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 178008054) has the molecular formula C20H23F3N8O4 and a molecular weight of 496.45 g/mol. Its IUPAC name is N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID178008054
Molecular FormulaC20H23F3N8O4
Molecular Weight496.45 g/mol
Exact Mass496.18
IUPAC NameN-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESCC(C)(OCC(NC(=O)c1cnon1)c1nc2ncc(CN3CCCNC3=O)cc2[nH]1)C(F)(F)F
InChIInChI=1S/C20H23F3N8O4/c1-19(2,20(21,22)23)34-10-14(28-17(32)13-8-26-35-30-13)16-27-12-6-11(7-25-15(12)29-16)9-31-5-3-4-24-18(31)33/h6-8,14H,3-5,9-10H2,1-2H3,(H,24,33)(H,28,32)(H,25,27,29)
InChIKeyDTWOYNJBHLHLFN-UHFFFAOYSA-N
XLogP2.08
TPSA151.16 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.45
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide (CID 178008054) is N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide is CC(C)(OCC(NC(=O)c1cnon1)c1nc2ncc(CN3CCCNC3=O)cc2[nH]1)C(F)(F)F.
What is the InChIKey of N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is DTWOYNJBHLHLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O4/c1-19(2,20(21,22)23)34-10-14(28-17(32)13-8-26-35-30-13)16-27-12-6-11(7-25-15(12)29-16)9-31-5-3-4-24-18(31)33/h6-8,14H,3-5,9-10H2,1-2H3,(H,24,33)(H,28,32)(H,25,27,29).
What are the key properties of N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide?
N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 496.45 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-[(2-oxo-1,3-diazinan-1-yl)methyl]-1H-imidazo[4,5-b]pyridin-2-yl]-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 178008054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).