methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate

C23H34N4O4 — CID 168885407

About methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate

methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate (PubChem CID 168885407) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate.

Molecular Properties

• Compound Name: methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate
• PubChem CID: 168885407
• Molecular Formula: C23H34N4O4
• Molecular Weight: 430.55 g/mol
• Exact Mass: 430.26
• IUPAC Name: methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate
• SMILES: COC(=O)c1cc2c(cn1)nc(CC(C)C)n2[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1
• InChI: InChI=1S/C23H34N4O4/c1-14(2)10-20-26-18-13-24-17(21(28)30-6)12-19(18)27(20)16-9-7-8-15(11-16)25-22(29)31-23(3,4)5/h12-16H,7-11H2,1-6H3,(H,25,29)/t15-,16+/m0/s1
• InChIKey: YLVYWKJBVVSQLI-JKSUJKDBSA-N
• XLogP: 4.42
• TPSA: 95.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.55
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate?

The IUPAC name of methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate (CID 168885407) is methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate.

What is the SMILES notation for methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate?

The canonical SMILES for methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate is COC(=O)c1cc2c(cn1)nc(CC(C)C)n2[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1.

What is the InChIKey of methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate?

The InChIKey is YLVYWKJBVVSQLI-JKSUJKDBSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-14(2)10-20-26-18-13-24-17(21(28)30-6)12-19(18)27(20)16-9-7-8-15(11-16)25-22(29)31-23(3,4)5/h12-16H,7-11H2,1-6H3,(H,25,29)/t15-,16+/m0/s1.

What are the key properties of methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate?

methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate has a molecular weight of 430.55 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 1-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]-2-(2-methylpropyl)imidazo[4,5-c]pyridine-6-carboxylate is sourced from PubChem (CID 168885407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).