methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate

C26H26ClN5O7 — CID 10415296

About methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate

methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate (PubChem CID 10415296) has the molecular formula C26H26ClN5O7 and a molecular weight of 555.98 g/mol. Its IUPAC name is methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate
• PubChem CID: 10415296
• Molecular Formula: C26H26ClN5O7
• Molecular Weight: 555.98 g/mol
• Exact Mass: 555.15
• IUPAC Name: methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate
• SMILES: COC(=O)c1cnc2c(NC(=O)C3CCC(N4CCOCC4=O)CC3)c(C(=O)Nc3ccc(Cl)cn3)oc2c1
• InChI: InChI=1S/C26H26ClN5O7/c1-37-26(36)15-10-18-21(29-11-15)22(23(39-18)25(35)30-19-7-4-16(27)12-28-19)31-24(34)14-2-5-17(6-3-14)32-8-9-38-13-20(32)33/h4,7,10-12,14,17H,2-3,5-6,8-9,13H2,1H3,(H,31,34)(H,28,30,35)
• InChIKey: POFIGZMCZICZOM-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 152.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	555.98
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate?

The IUPAC name of methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate (CID 10415296) is methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate.

What is the SMILES notation for methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate?

The canonical SMILES for methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate is COC(=O)c1cnc2c(NC(=O)C3CCC(N4CCOCC4=O)CC3)c(C(=O)Nc3ccc(Cl)cn3)oc2c1.

What is the InChIKey of methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate?

The InChIKey is POFIGZMCZICZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O7/c1-37-26(36)15-10-18-21(29-11-15)22(23(39-18)25(35)30-19-7-4-16(27)12-28-19)31-24(34)14-2-5-17(6-3-14)32-8-9-38-13-20(32)33/h4,7,10-12,14,17H,2-3,5-6,8-9,13H2,1H3,(H,31,34)(H,28,30,35).

What are the key properties of methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate?

methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate has a molecular weight of 555.98 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[(5-chloro-2-pyridinyl)carbamoyl]-3-[[4-(3-oxomorpholin-4-yl)cyclohexanecarbonyl]amino]furo[3,2-b]pyridine-6-carboxylate is sourced from PubChem (CID 10415296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).