2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine

C88H89BrCl2N20O3 — CID 160625613

About 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine

2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine (PubChem CID 160625613) has the molecular formula C88H89BrCl2N20O3 and a molecular weight of 1625.63 g/mol. Its IUPAC name is 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine.

Molecular Properties

• Compound Name: 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine
• PubChem CID: 160625613
• Molecular Formula: C88H89BrCl2N20O3
• Molecular Weight: 1625.63 g/mol
• Exact Mass: 1622.60
• IUPAC Name: 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine
• SMILES: Brc1cnccn1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(c2cncnc2)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(C2CC3(C2)CN(c2cncnc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(C2)CN(c2cncnc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(CNC3)C2)cc1
• InChI: InChI=1S/C27H27ClN6O.C17H16N4.C17H20N4.C13H14N2.C10H9ClN2O2.C4H3BrN2/c1-2-23-25(34-14-21(28)7-8-24(34)32-23)26(35)31-11-18-3-5-19(6-4-18)20-9-27(10-20)15-33(16-27)22-12-29-17-30-13-22;1-18-15-4-2-13(3-5-15)14-6-17(7-14)10-21(11-17)16-8-19-12-20-9-16;18-7-13-1-3-14(4-2-13)15-5-17(6-15)10-21(11-17)16-8-19-12-20-9-16;1-14-12-4-2-10(3-5-12)11-6-13(7-11)8-15-9-13;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;5-4-3-6-1-2-7-4/h3-8,12-14,17,20H,2,9-11,15-16H2,1H3,(H,31,35);2-5,8-9,12,14H,6-7,10-11H2;1-4,8-9,12,15H,5-7,10-11,18H2;2-5,11,15H,6-9H2;3-5H,2H2,1H3,(H,14,15);1-3H
• InChIKey: RHGKZECEZHVPNL-UHFFFAOYSA-N
• XLogP: 16.58
• TPSA: 260.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1625.63
LogP ≤ 5	16.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine?

The IUPAC name of 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine (CID 160625613) is 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine.

What is the SMILES notation for 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine?

The canonical SMILES for 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine is Brc1cnccn1.CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(C2CC3(C2)CN(c2cncnc2)C3)cc1.CCc1nc2ccc(Cl)cn2c1C(=O)O.NCc1ccc(C2CC3(C2)CN(c2cncnc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(C2)CN(c2cncnc2)C3)cc1.[C-]#[N+]c1ccc(C2CC3(CNC3)C2)cc1.

What is the InChIKey of 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine?

The InChIKey is RHGKZECEZHVPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN6O.C17H16N4.C17H20N4.C13H14N2.C10H9ClN2O2.C4H3BrN2/c1-2-23-25(34-14-21(28)7-8-24(34)32-23)26(35)31-11-18-3-5-19(6-4-18)20-9-27(10-20)15-33(16-27)22-12-29-17-30-13-22;1-18-15-4-2-13(3-5-15)14-6-17(7-14)10-21(11-17)16-8-19-12-20-9-16;18-7-13-1-3-14(4-2-13)15-5-17(6-15)10-21(11-17)16-8-19-12-20-9-16;1-14-12-4-2-10(3-5-12)11-6-13(7-11)8-15-9-13;1-2-7-9(10(14)15)13-5-6(11)3-4-8(13)12-7;5-4-3-6-1-2-7-4/h3-8,12-14,17,20H,2,9-11,15-16H2,1H3,(H,31,35);2-5,8-9,12,14H,6-7,10-11H2;1-4,8-9,12,15H,5-7,10-11,18H2;2-5,11,15H,6-9H2;3-5H,2H2,1H3,(H,14,15);1-3H.

What are the key properties of 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine?

2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine has a molecular weight of 1625.63 g/mol, XLogP of 16.58, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromopyrazine;6-chloro-2-ethylimidazo[1,2-a]pyridine-3-carboxylic acid;6-chloro-2-ethyl-N-[[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide;6-(4-isocyanophenyl)-2-azaspiro[3.3]heptane;6-(4-isocyanophenyl)-2-pyrimidin-5-yl-2-azaspiro[3.3]heptane;[4-(2-pyrimidin-5-yl-2-azaspiro[3.3]heptan-6-yl)phenyl]methanamine is sourced from PubChem (CID 160625613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).