N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane

C47H70ClN7O5 — CID 142388629

About N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane

N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane (PubChem CID 142388629) has the molecular formula C47H70ClN7O5 and a molecular weight of 848.57 g/mol. Its IUPAC name is N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane.

Molecular Properties

• Compound Name: N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane
• PubChem CID: 142388629
• Molecular Formula: C47H70ClN7O5
• Molecular Weight: 848.57 g/mol
• Exact Mass: 847.51
• IUPAC Name: N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane
• SMILES: CC(C)C.CCN1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(NC(=O)/C(C)=N/C5=C(C)CCN(CC(C)O)C5)c4C)c3Cl)n2C)C1.CO.O=CC1CCCCC1
• InChI: InChI=1S/C35H44ClN7O3.C7H12O.C4H10.CH4O/c1-7-42-17-15-31-30(20-42)38-33(41(31)6)35(46)40-28-13-9-11-26(32(28)36)25-10-8-12-27(23(25)4)39-34(45)24(5)37-29-19-43(18-22(3)44)16-14-21(29)2;8-6-7-4-2-1-3-5-7;1-4(2)3;1-2/h8-13,22,44H,7,14-20H2,1-6H3,(H,39,45)(H,40,46);6-7H,1-5H2;4H,1-3H3;2H,1H3/b37-24+
• InChIKey: RZDJRCXBAFRXIW-GYHHAKLVSA-N
• XLogP: 8.48
• TPSA: 152.39 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.57
LogP ≤ 5	8.48
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane?

The IUPAC name of N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane (CID 142388629) is N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane.

What is the SMILES notation for N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane?

The canonical SMILES for N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane is CC(C)C.CCN1CCc2c(nc(C(=O)Nc3cccc(-c4cccc(NC(=O)/C(C)=N/C5=C(C)CCN(CC(C)O)C5)c4C)c3Cl)n2C)C1.CO.O=CC1CCCCC1.

What is the InChIKey of N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane?

The InChIKey is RZDJRCXBAFRXIW-GYHHAKLVSA-N. The full InChI is InChI=1S/C35H44ClN7O3.C7H12O.C4H10.CH4O/c1-7-42-17-15-31-30(20-42)38-33(41(31)6)35(46)40-28-13-9-11-26(32(28)36)25-10-8-12-27(23(25)4)39-34(45)24(5)37-29-19-43(18-22(3)44)16-14-21(29)2;8-6-7-4-2-1-3-5-7;1-4(2)3;1-2/h8-13,22,44H,7,14-20H2,1-6H3,(H,39,45)(H,40,46);6-7H,1-5H2;4H,1-3H3;2H,1H3/b37-24+;;;.

What are the key properties of N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane?

N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane has a molecular weight of 848.57 g/mol, XLogP of 8.48, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-chloro-3-[3-[2-[[1-(2-hydroxypropyl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]imino]propanoylamino]-2-methylphenyl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide;cyclohexanecarbaldehyde;methanol;2-methylpropane is sourced from PubChem (CID 142388629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).