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

C30H29ClN6O3 — CID 155624268

About 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

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 155624268) has the molecular formula C30H29ClN6O3 and a molecular weight of 557.05 g/mol. Its IUPAC name is 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: 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: 155624268
• Molecular Formula: C30H29ClN6O3
• Molecular Weight: 557.05 g/mol
• Exact Mass: 556.20
• IUPAC Name: 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: CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12
• InChI: InChI=1S/C30H29ClN6O3/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/h7-10,12-15,17-18,23,25H,2-6,11,16H2,1H3
• InChIKey: DQLNBHQZXMEPJQ-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 95.79 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.05
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 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 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 155624268) is 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 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 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 CCOC(=O)C1CC1c1cc(C2CC2)cn2cc(Cn3cc(C(=O)CCc4ncn5ccc(Cl)cc45)cn3)nc12.

What is the InChIKey of 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 DQLNBHQZXMEPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29ClN6O3/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/h7-10,12-15,17-18,23,25H,2-6,11,16H2,1H3.

What are the key properties of 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?

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 557.05 g/mol, XLogP of 5.24, 10 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 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 155624268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).