1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate

C60H61Cl2N13O6 — CID 158271265

About 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate

1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate (PubChem CID 158271265) has the molecular formula C60H61Cl2N13O6 and a molecular weight of 1131.14 g/mol. Its IUPAC name is 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
• PubChem CID: 158271265
• Molecular Formula: C60H61Cl2N13O6
• Molecular Weight: 1131.14 g/mol
• Exact Mass: 1129.42
• IUPAC Name: 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate
• SMILES: CCCC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)O)cn3)nc12.CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.NCc1ncn2ccc(Cl)cc12
• InChI: InChI=1S/C30H29ClN6O3.C22H24N4O3.C8H8ClN3/c1-2-40-30(39)25-11-23(25)24-9-19(18-3-4-18)13-36-15-22(34-29(24)36)16-37-14-20(12-33-37)28(38)6-5-26-27-10-21(31)7-8-35(27)17-32-26;1-2-3-20(27)18-7-17(18)19-6-14(13-4-5-13)9-25-11-16(24-21(19)25)12-26-10-15(8-23-26)22(28)29;9-6-1-2-12-5-11-7(4-10)8(12)3-6/h7-10,12-15,17-18,23,25H,2-6,11,16H2,1H3;6,8-11,13,17-18H,2-5,7,12H2,1H3,(H,28,29);1-3,5H,4,10H2
• InChIKey: GJBFVWWYUQUQCE-UHFFFAOYSA-N
• XLogP: 10.31
• TPSA: 228.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 19
• Heavy Atoms: 81
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1131.14
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?

The IUPAC name of 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate (CID 158271265) is 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate.

What is the SMILES notation for 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?

The canonical SMILES for 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate is CCCC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)O)cn3)nc12.CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.NCc1ncn2ccc(Cl)cc12.

What is the InChIKey of 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?

The InChIKey is GJBFVWWYUQUQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN6O3.C22H24N4O3.C8H8ClN3/c1-2-40-30(39)25-11-23(25)24-9-19(18-3-4-18)13-36-15-22(34-29(24)36)16-37-14-20(12-33-37)28(38)6-5-26-27-10-21(31)7-8-35(27)17-32-26;1-2-3-20(27)18-7-17(18)19-6-14(13-4-5-13)9-25-11-16(24-21(19)25)12-26-10-15(8-23-26)22(28)29;9-6-1-2-12-5-11-7(4-10)8(12)3-6/h7-10,12-15,17-18,23,25H,2-6,11,16H2,1H3;6,8-11,13,17-18H,2-5,7,12H2,1H3,(H,28,29);1-3,5H,4,10H2.

What are the key properties of 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate?

1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate has a molecular weight of 1131.14 g/mol, XLogP of 10.31, 19 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[8-(2-butanoylcyclopropyl)-6-cyclopropylimidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;(7-chloroimidazo[1,5-a]pyridin-1-yl)methanamine;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 158271265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).