methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C75H87BrF6N12O11 — CID 165102515

About methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 165102515) has the molecular formula C75H87BrF6N12O11 and a molecular weight of 1526.49 g/mol. Its IUPAC name is methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

• Compound Name: methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
• PubChem CID: 165102515
• Molecular Formula: C75H87BrF6N12O11
• Molecular Weight: 1526.49 g/mol
• Exact Mass: 1524.57
• IUPAC Name: methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
• SMILES: COC(=O)c1cnc(CBr)cn1.COC(=O)c1cnc(CN2CCC3(CC2)CC(N(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CO3)cn1.O=C(N(C1COC2(CCNCC2)C1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.O=C(O)c1cnc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cn1
• InChI: InChI=1S/C26H29F3N4O4.C23H28N4O3.C19H23F3N2O2.C7H7BrN2O2/c1-36-23(34)21-14-30-18(13-31-21)15-32-9-7-25(8-10-32)12-19(16-37-25)33(24(35)26(27,28)29)22-11-20(22)17-5-3-2-4-6-17;28-22(29)21-13-24-18(12-25-21)14-27-8-6-23(7-9-27)11-17(15-30-23)26-20-10-19(20)16-4-2-1-3-5-16;20-19(21,22)17(25)24(16-10-15(16)13-4-2-1-3-5-13)14-11-18(26-12-14)6-8-23-9-7-18;1-12-7(11)6-4-9-5(2-8)3-10-6/h2-6,13-14,19-20,22H,7-12,15-16H2,1H3;1-5,12-13,17,19-20,26H,6-11,14-15H2,(H,28,29);1-5,14-16,23H,6-12H2;3-4H,2H2,1H3/t19?,20-,22+;17?,19-,20+;14?,15-,16+;/m000./s1
• InChIKey: YOQTWRYPDZHIRY-ZIRVCDACSA-N
• XLogP: 9.78
• TPSA: 266.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 20
• Rotatable Bonds: 17
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1526.49
LogP ≤ 5	9.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?

The IUPAC name of methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 165102515) is methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

What is the SMILES notation for methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?

The canonical SMILES for methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is COC(=O)c1cnc(CBr)cn1.COC(=O)c1cnc(CN2CCC3(CC2)CC(N(C(=O)C(F)(F)F)[C@@H]2C[C@H]2c2ccccc2)CO3)cn1.O=C(N(C1COC2(CCNCC2)C1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.O=C(O)c1cnc(CN2CCC3(CC2)CC(N[C@@H]2C[C@H]2c2ccccc2)CO3)cn1.

What is the InChIKey of methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?

The InChIKey is YOQTWRYPDZHIRY-ZIRVCDACSA-N. The full InChI is InChI=1S/C26H29F3N4O4.C23H28N4O3.C19H23F3N2O2.C7H7BrN2O2/c1-36-23(34)21-14-30-18(13-31-21)15-32-9-7-25(8-10-32)12-19(16-37-25)33(24(35)26(27,28)29)22-11-20(22)17-5-3-2-4-6-17;28-22(29)21-13-24-18(12-25-21)14-27-8-6-23(7-9-27)11-17(15-30-23)26-20-10-19(20)16-4-2-1-3-5-16;20-19(21,22)17(25)24(16-10-15(16)13-4-2-1-3-5-13)14-11-18(26-12-14)6-8-23-9-7-18;1-12-7(11)6-4-9-5(2-8)3-10-6/h2-6,13-14,19-20,22H,7-12,15-16H2,1H3;1-5,12-13,17,19-20,26H,6-11,14-15H2,(H,28,29);1-5,14-16,23H,6-12H2;3-4H,2H2,1H3/t19?,20-,22+;17?,19-,20+;14?,15-,16+;/m000./s1.

What are the key properties of methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?

methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 1526.49 g/mol, XLogP of 9.78, 17 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-(bromomethyl)pyrazine-2-carboxylate;methyl 5-[[3-[[(1R,2S)-2-phenylcyclopropyl]-(2,2,2-trifluoroacetyl)amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylate;5-[[3-[[(1R,2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyrazine-2-carboxylic acid;2,2,2-trifluoro-N-(1-oxa-8-azaspiro[4.5]decan-3-yl)-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 165102515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).