2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide

C58H77N15O9S2 — CID 165113292

IUPAC2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide
SMILESCN1CCC(Oc2ccc(NC3CCC(Oc4nc(N5CCOCC5)cc5ncc(NS(=O)(=O)CCN6CCN(c7ccc(NC8CCC(Oc9nc(N%10CCOCC%10)cc%10ncc(NS(C)(=O)=O)cc9%10)CC8)nc7)CC6)cc45)CC3)nc2)C1
InChIInChI=1S/C58H77N15O9S2/c1-69-16-15-48(39-69)80-47-12-14-54(62-38-47)64-41-5-10-46(11-6-41)82-58-50-32-43(36-60-52(50)34-56(66-58)73-23-28-79-29-24-73)68-84(76,77)30-25-70-17-19-71(20-18-70)44-7-13-53(61-37-44)63-40-3-8-45(9-4-40)81-57-49-31-42(67-83(2,74)75)35-59-51(49)33-55(65-57)72-21-26-78-27-22-72/h7,12-14,31-38,40-41,45-46,48,67-68H,3-6,8-11,15-30,39H2,1-2H3,(H,61,63)(H,62,64)
InChIKeyKWGNEMRDVMXKPH-UHFFFAOYSA-N
MW1192.48 g/mol
LogP5.66
Rot. Bonds20

About 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide

2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide (PubChem CID 165113292) has the molecular formula C58H77N15O9S2 and a molecular weight of 1192.48 g/mol. Its IUPAC name is 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide.

Molecular Properties

Compound Name2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide
PubChem CID165113292
Molecular FormulaC58H77N15O9S2
Molecular Weight1192.48 g/mol
Exact Mass1191.55
IUPAC Name2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide
SMILESCN1CCC(Oc2ccc(NC3CCC(Oc4nc(N5CCOCC5)cc5ncc(NS(=O)(=O)CCN6CCN(c7ccc(NC8CCC(Oc9nc(N%10CCOCC%10)cc%10ncc(NS(C)(=O)=O)cc9%10)CC8)nc7)CC6)cc45)CC3)nc2)C1
InChIInChI=1S/C58H77N15O9S2/c1-69-16-15-48(39-69)80-47-12-14-54(62-38-47)64-41-5-10-46(11-6-41)82-58-50-32-43(36-60-52(50)34-56(66-58)73-23-28-79-29-24-73)68-84(76,77)30-25-70-17-19-71(20-18-70)44-7-13-53(61-37-44)63-40-3-8-45(9-4-40)81-57-49-31-42(67-83(2,74)75)35-59-51(49)33-55(65-57)72-21-26-78-27-22-72/h7,12-14,31-38,40-41,45-46,48,67-68H,3-6,8-11,15-30,39H2,1-2H3,(H,61,63)(H,62,64)
InChIKeyKWGNEMRDVMXKPH-UHFFFAOYSA-N
XLogP5.66
TPSA256.09 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001192.48
LogP ≤ 55.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide?
The IUPAC name of 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide (CID 165113292) is 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide.
What is the SMILES notation for 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide?
The canonical SMILES for 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide is CN1CCC(Oc2ccc(NC3CCC(Oc4nc(N5CCOCC5)cc5ncc(NS(=O)(=O)CCN6CCN(c7ccc(NC8CCC(Oc9nc(N%10CCOCC%10)cc%10ncc(NS(C)(=O)=O)cc9%10)CC8)nc7)CC6)cc45)CC3)nc2)C1.
What is the InChIKey of 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide?
The InChIKey is KWGNEMRDVMXKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H77N15O9S2/c1-69-16-15-48(39-69)80-47-12-14-54(62-38-47)64-41-5-10-46(11-6-41)82-58-50-32-43(36-60-52(50)34-56(66-58)73-23-28-79-29-24-73)68-84(76,77)30-25-70-17-19-71(20-18-70)44-7-13-53(61-37-44)63-40-3-8-45(9-4-40)81-57-49-31-42(67-83(2,74)75)35-59-51(49)33-55(65-57)72-21-26-78-27-22-72/h7,12-14,31-38,40-41,45-46,48,67-68H,3-6,8-11,15-30,39H2,1-2H3,(H,61,63)(H,62,64).
What are the key properties of 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide?
2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide has a molecular weight of 1192.48 g/mol, XLogP of 5.66, 20 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[[4-[[3-(methanesulfonamido)-7-morpholin-4-yl-1,6-naphthyridin-5-yl]oxy]cyclohexyl]amino]-3-pyridinyl]piperazin-1-yl]-N-[5-[4-[[5-(1-methylpyrrolidin-3-yl)oxy-2-pyridinyl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]ethanesulfonamide is sourced from PubChem (CID 165113292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).