methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate

C24H24ClN9O4 — CID 171655729

About methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate

methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate (PubChem CID 171655729) has the molecular formula C24H24ClN9O4 and a molecular weight of 537.97 g/mol. Its IUPAC name is methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate
• PubChem CID: 171655729
• Molecular Formula: C24H24ClN9O4
• Molecular Weight: 537.97 g/mol
• Exact Mass: 537.16
• IUPAC Name: methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate
• SMILES: COC(=O)N1CC(n2nnc(-c3ccc(Cl)c(NC(=O)c4cnn5cc(N6CCOCC6)ccc45)c3)n2)C1
• InChI: InChI=1S/C24H24ClN9O4/c1-37-24(36)32-12-17(13-32)34-29-22(28-30-34)15-2-4-19(25)20(10-15)27-23(35)18-11-26-33-14-16(3-5-21(18)33)31-6-8-38-9-7-31/h2-5,10-11,14,17H,6-9,12-13H2,1H3,(H,27,35)
• InChIKey: ZGHJKBVWIPUZCP-UHFFFAOYSA-N
• XLogP: 2.35
• TPSA: 132.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	537.97
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate?

The IUPAC name of methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate (CID 171655729) is methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate.

What is the SMILES notation for methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate?

The canonical SMILES for methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate is COC(=O)N1CC(n2nnc(-c3ccc(Cl)c(NC(=O)c4cnn5cc(N6CCOCC6)ccc45)c3)n2)C1.

What is the InChIKey of methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate?

The InChIKey is ZGHJKBVWIPUZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN9O4/c1-37-24(36)32-12-17(13-32)34-29-22(28-30-34)15-2-4-19(25)20(10-15)27-23(35)18-11-26-33-14-16(3-5-21(18)33)31-6-8-38-9-7-31/h2-5,10-11,14,17H,6-9,12-13H2,1H3,(H,27,35).

What are the key properties of methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate?

methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate has a molecular weight of 537.97 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[5-[4-chloro-3-[(6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonyl)amino]phenyl]tetrazol-2-yl]azetidine-1-carboxylate is sourced from PubChem (CID 171655729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).