acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane

C31H35ClN10O6 — CID 171803265

About acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane

acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane (PubChem CID 171803265) has the molecular formula C31H35ClN10O6 and a molecular weight of 679.14 g/mol. Its IUPAC name is acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane.

Molecular Properties

• Compound Name: acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane
• PubChem CID: 171803265
• Molecular Formula: C31H35ClN10O6
• Molecular Weight: 679.14 g/mol
• Exact Mass: 678.24
• IUPAC Name: acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane
• SMILES: C=CC(=O)Nc1cn(C)nc1-c1nc2nccc(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c([N+](=O)[O-])c3)c2[nH]1.CC.CC(=O)Cl
• InChI: InChI=1S/C27H26N10O5.C2H3ClO.C2H6/c1-6-19(38)30-17-13-36(5)34-21(17)23-31-20-16(9-10-28-22(20)32-23)14-7-8-15(18(11-14)37(40)41)12-29-24(39)25-33-26(35-42-25)27(2,3)4;1-2(3)4;1-2/h6-11,13H,1,12H2,2-5H3,(H,29,39)(H,30,38)(H,28,31,32);1H3;1-2H3
• InChIKey: FHDSXWZPBGPMIW-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 216.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	679.14
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane?

The IUPAC name of acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane (CID 171803265) is acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane.

What is the SMILES notation for acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane?

The canonical SMILES for acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane is C=CC(=O)Nc1cn(C)nc1-c1nc2nccc(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c([N+](=O)[O-])c3)c2[nH]1.CC.CC(=O)Cl.

What is the InChIKey of acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane?

The InChIKey is FHDSXWZPBGPMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N10O5.C2H3ClO.C2H6/c1-6-19(38)30-17-13-36(5)34-21(17)23-31-20-16(9-10-28-22(20)32-23)14-7-8-15(18(11-14)37(40)41)12-29-24(39)25-33-26(35-42-25)27(2,3)4;1-2(3)4;1-2/h6-11,13H,1,12H2,2-5H3,(H,29,39)(H,30,38)(H,28,31,32);1H3;1-2H3.

What are the key properties of acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane?

acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane has a molecular weight of 679.14 g/mol, XLogP of 5.47, 8 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl chloride;3-tert-butyl-N-[[4-[2-[1-methyl-4-(prop-2-enoylamino)pyrazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]-2-nitrophenyl]methyl]-1,2,4-oxadiazole-5-carboxamide;ethane is sourced from PubChem (CID 171803265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).