methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate

C30H31Cl2N7O4 — CID 56836965

About methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate

methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 56836965) has the molecular formula C30H31Cl2N7O4 and a molecular weight of 624.53 g/mol. Its IUPAC name is methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
• PubChem CID: 56836965
• Molecular Formula: C30H31Cl2N7O4
• Molecular Weight: 624.53 g/mol
• Exact Mass: 623.18
• IUPAC Name: methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate
• SMILES: COC(=O)c1ccn2c(NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)c(-c3ccc(N4CCOCC4)cc3)nc2c1
• InChI: InChI=1S/C30H31Cl2N7O4/c1-42-30(41)21-6-7-39-25(16-21)35-27(20-2-4-22(5-3-20)36-12-14-43-15-13-36)29(39)34-19-26(40)37-8-10-38(11-9-37)28-23(31)17-33-18-24(28)32/h2-7,16-18,34H,8-15,19H2,1H3
• InChIKey: SQDBSBIONQZMPF-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 104.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	624.53
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate?

The IUPAC name of methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate (CID 56836965) is methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate.

What is the SMILES notation for methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate?

The canonical SMILES for methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(NCC(=O)N3CCN(c4c(Cl)cncc4Cl)CC3)c(-c3ccc(N4CCOCC4)cc3)nc2c1.

What is the InChIKey of methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate?

The InChIKey is SQDBSBIONQZMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2N7O4/c1-42-30(41)21-6-7-39-25(16-21)35-27(20-2-4-22(5-3-20)36-12-14-43-15-13-36)29(39)34-19-26(40)37-8-10-38(11-9-37)28-23(31)17-33-18-24(28)32/h2-7,16-18,34H,8-15,19H2,1H3.

What are the key properties of methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate?

methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 624.53 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[[2-[4-(3,5-dichloro-4-pyridinyl)piperazin-1-yl]-2-oxoethyl]amino]-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 56836965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).