5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

C45H47F3N10O7 — CID 154655722

IUPAC5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCOc1cc2nc(CC3CCOC3)cn2cc1NC(=O)c1nc(-c2cnn(C)c2)oc1CCOc1cc2nc(C3C[C@@H](C)O[C@@H](C)C3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C45H47F3N10O7/c1-5-62-36-16-39-50-30(15-27-9-11-61-24-27)20-57(39)22-33(36)54-43(60)41-35(65-44(55-41)29-18-49-56(4)19-29)10-12-63-37-17-40-52-32(28-13-25(2)64-26(3)14-28)21-58(40)23-34(37)53-42(59)31-7-6-8-38(51-31)45(46,47)48/h6-8,16-23,25-28H,5,9-15,24H2,1-4H3,(H,53,59)(H,54,60)/t25-,26+,27?,28?
InChIKeyQOEHKMRUDVZLFB-YBUAWYOBSA-N
MW896.93 g/mol
LogP7.56
Rot. Bonds14

About 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide

5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (PubChem CID 154655722) has the molecular formula C45H47F3N10O7 and a molecular weight of 896.93 g/mol. Its IUPAC name is 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
PubChem CID154655722
Molecular FormulaC45H47F3N10O7
Molecular Weight896.93 g/mol
Exact Mass896.36
IUPAC Name5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
SMILESCCOc1cc2nc(CC3CCOC3)cn2cc1NC(=O)c1nc(-c2cnn(C)c2)oc1CCOc1cc2nc(C3C[C@@H](C)O[C@@H](C)C3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C45H47F3N10O7/c1-5-62-36-16-39-50-30(15-27-9-11-61-24-27)20-57(39)22-33(36)54-43(60)41-35(65-44(55-41)29-18-49-56(4)19-29)10-12-63-37-17-40-52-32(28-13-25(2)64-26(3)14-28)21-58(40)23-34(37)53-42(59)31-7-6-8-38(51-31)45(46,47)48/h6-8,16-23,25-28H,5,9-15,24H2,1-4H3,(H,53,59)(H,54,60)/t25-,26+,27?,28?
InChIKeyQOEHKMRUDVZLFB-YBUAWYOBSA-N
XLogP7.56
TPSA186.46 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500896.93
LogP ≤ 57.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-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 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide (CID 154655722) is 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is CCOc1cc2nc(CC3CCOC3)cn2cc1NC(=O)c1nc(-c2cnn(C)c2)oc1CCOc1cc2nc(C3C[C@@H](C)O[C@@H](C)C3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is QOEHKMRUDVZLFB-YBUAWYOBSA-N. The full InChI is InChI=1S/C45H47F3N10O7/c1-5-62-36-16-39-50-30(15-27-9-11-61-24-27)20-57(39)22-33(36)54-43(60)41-35(65-44(55-41)29-18-49-56(4)19-29)10-12-63-37-17-40-52-32(28-13-25(2)64-26(3)14-28)21-58(40)23-34(37)53-42(59)31-7-6-8-38(51-31)45(46,47)48/h6-8,16-23,25-28H,5,9-15,24H2,1-4H3,(H,53,59)(H,54,60)/t25-,26+,27?,28?.
What are the key properties of 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide?
5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 896.93 g/mol, XLogP of 7.56, 14 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-[[6-(trifluoromethyl)pyridine-2-carbonyl]amino]imidazo[1,2-a]pyridin-7-yl]oxyethyl]-N-[7-ethoxy-2-(oxolan-3-ylmethyl)imidazo[1,2-a]pyridin-6-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 154655722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).