butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid

C90H96Cl2N22O12 — CID 158626588

About butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid

butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid (PubChem CID 158626588) has the molecular formula C90H96Cl2N22O12 and a molecular weight of 1748.81 g/mol. Its IUPAC name is butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

• Compound Name: butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid
• PubChem CID: 158626588
• Molecular Formula: C90H96Cl2N22O12
• Molecular Weight: 1748.81 g/mol
• Exact Mass: 1746.70
• IUPAC Name: butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid
• SMILES: CCCCOC(=O)c1cnn(Cc2cn3cccc(C4(C(=O)OCC)CC4)c3n2)c1.CCCCOC(=O)c1cnn(Cc2cn3cccc(C4(CO)CC4)c3n2)c1.NCc1ncn2ccc(Cl)cc12.O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cccc(C4(CO)CC4)c3n2)c1.O=C(O)c1cnn(Cc2cn3cccc(C4(CO)CC4)c3n2)c1
• InChI: InChI=1S/C24H22ClN7O2.C22H26N4O4.C20H24N4O3.C16H16N4O3.C8H8ClN3/c25-17-3-7-31-15-27-20(21(31)8-17)10-26-23(34)16-9-28-32(11-16)13-18-12-30-6-1-2-19(22(30)29-18)24(14-33)4-5-24;1-3-5-11-30-20(27)16-12-23-26(13-16)15-17-14-25-10-6-7-18(19(25)24-17)22(8-9-22)21(28)29-4-2;1-2-3-9-27-19(26)15-10-21-24(11-15)13-16-12-23-8-4-5-17(18(23)22-16)20(14-25)6-7-20;21-10-16(3-4-16)13-2-1-5-19-8-12(18-14(13)19)9-20-7-11(6-17-20)15(22)23;9-6-1-2-12-5-11-7(4-10)8(12)3-6/h1-3,6-9,11-12,15,33H,4-5,10,13-14H2,(H,26,34);6-7,10,12-14H,3-5,8-9,11,15H2,1-2H3;4-5,8,10-12,25H,2-3,6-7,9,13-14H2,1H3;1-2,5-8,21H,3-4,9-10H2,(H,22,23);1-3,5H,4,10H2
• InChIKey: HYQZMIATYXDFJC-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 407.09 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1748.81
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid?

The IUPAC name of butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid (CID 158626588) is butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid.

What is the SMILES notation for butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid?

The canonical SMILES for butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid is CCCCOC(=O)c1cnn(Cc2cn3cccc(C4(C(=O)OCC)CC4)c3n2)c1.CCCCOC(=O)c1cnn(Cc2cn3cccc(C4(CO)CC4)c3n2)c1.NCc1ncn2ccc(Cl)cc12.O=C(NCc1ncn2ccc(Cl)cc12)c1cnn(Cc2cn3cccc(C4(CO)CC4)c3n2)c1.O=C(O)c1cnn(Cc2cn3cccc(C4(CO)CC4)c3n2)c1.

What is the InChIKey of butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid?

The InChIKey is HYQZMIATYXDFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN7O2.C22H26N4O4.C20H24N4O3.C16H16N4O3.C8H8ClN3/c25-17-3-7-31-15-27-20(21(31)8-17)10-26-23(34)16-9-28-32(11-16)13-18-12-30-6-1-2-19(22(30)29-18)24(14-33)4-5-24;1-3-5-11-30-20(27)16-12-23-26(13-16)15-17-14-25-10-6-7-18(19(25)24-17)22(8-9-22)21(28)29-4-2;1-2-3-9-27-19(26)15-10-21-24(11-15)13-16-12-23-8-4-5-17(18(23)22-16)20(14-25)6-7-20;21-10-16(3-4-16)13-2-1-5-19-8-12(18-14(13)19)9-20-7-11(6-17-20)15(22)23;9-6-1-2-12-5-11-7(4-10)8(12)3-6/h1-3,6-9,11-12,15,33H,4-5,10,13-14H2,(H,26,34);6-7,10,12-14H,3-5,8-9,11,15H2,1-2H3;4-5,8,10-12,25H,2-3,6-7,9,13-14H2,1H3;1-2,5-8,21H,3-4,9-10H2,(H,22,23);1-3,5H,4,10H2.

What are the key properties of butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid?

butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 1748.81 g/mol, XLogP of 11.27, 30 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for butyl 1-[[8-(1-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;butyl 1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxamide;1-[[8-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 158626588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).