2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid

C25H33ClN6O5 — CID 144512177

About 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid

2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid (PubChem CID 144512177) has the molecular formula C25H33ClN6O5 and a molecular weight of 533.03 g/mol. Its IUPAC name is 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid.

Molecular Properties

• Compound Name: 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid
• PubChem CID: 144512177
• Molecular Formula: C25H33ClN6O5
• Molecular Weight: 533.03 g/mol
• Exact Mass: 532.22
• IUPAC Name: 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid
• SMILES: CN(CC(=O)O)C(=O)N1CCC(Oc2nc3nc(C4=CCC(N5CCOCC5)CC4)c(Cl)cc3[nH]2)CC1
• InChI: InChI=1S/C25H33ClN6O5/c1-30(15-21(33)34)25(35)32-8-6-18(7-9-32)37-24-27-20-14-19(26)22(28-23(20)29-24)16-2-4-17(5-3-16)31-10-12-36-13-11-31/h2,14,17-18H,3-13,15H2,1H3,(H,33,34)(H,27,28,29)
• InChIKey: GHEANOSWSKCRIC-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 124.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.03
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid?

The IUPAC name of 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid (CID 144512177) is 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid.

What is the SMILES notation for 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid?

The canonical SMILES for 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid is CN(CC(=O)O)C(=O)N1CCC(Oc2nc3nc(C4=CCC(N5CCOCC5)CC4)c(Cl)cc3[nH]2)CC1.

What is the InChIKey of 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid?

The InChIKey is GHEANOSWSKCRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN6O5/c1-30(15-21(33)34)25(35)32-8-6-18(7-9-32)37-24-27-20-14-19(26)22(28-23(20)29-24)16-2-4-17(5-3-16)31-10-12-36-13-11-31/h2,14,17-18H,3-13,15H2,1H3,(H,33,34)(H,27,28,29).

What are the key properties of 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid?

2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid has a molecular weight of 533.03 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[[6-chloro-5-(4-morpholin-4-ylcyclohexen-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy]piperidine-1-carbonyl]-methylamino]acetic acid is sourced from PubChem (CID 144512177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).