1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

C73H74N10O5S — CID 146406616

IUPAC1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCCc1nc2c(C)cc(CCCc3nc4c(C)cc(CCCc5nc6c(C)cc(C)cn6c5-c5ccc(CCNC(=O)NS(=O)(=O)c6ccc(C)cc6)cc5)cn4c3-c3ccc(CCN)cc3)cn2c1-c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C73H74N10O5S/c1-7-62-65(56-30-24-53(25-31-56)36-39-80-71(84)60-14-8-9-15-61(60)72(80)85)82-44-54(41-49(5)69(82)76-62)12-11-17-64-67(58-26-20-51(21-27-58)34-37-74)83-45-55(42-50(6)70(83)78-64)13-10-16-63-66(81-43-47(3)40-48(4)68(81)77-63)57-28-22-52(23-29-57)35-38-75-73(86)79-89(87,88)59-32-18-46(2)19-33-59/h8-9,14-15,18-33,40-45H,7,10-13,16-17,34-39,74H2,1-6H3,(H2,75,79,86)
InChIKeyYRCXLVLIXDTGSL-UHFFFAOYSA-N
MW1203.53 g/mol
LogP12.66
Rot. Bonds22

About 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea

1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea (PubChem CID 146406616) has the molecular formula C73H74N10O5S and a molecular weight of 1203.53 g/mol. Its IUPAC name is 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
PubChem CID146406616
Molecular FormulaC73H74N10O5S
Molecular Weight1203.53 g/mol
Exact Mass1202.56
IUPAC Name1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea
SMILESCCc1nc2c(C)cc(CCCc3nc4c(C)cc(CCCc5nc6c(C)cc(C)cn6c5-c5ccc(CCNC(=O)NS(=O)(=O)c6ccc(C)cc6)cc5)cn4c3-c3ccc(CCN)cc3)cn2c1-c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C73H74N10O5S/c1-7-62-65(56-30-24-53(25-31-56)36-39-80-71(84)60-14-8-9-15-61(60)72(80)85)82-44-54(41-49(5)69(82)76-62)12-11-17-64-67(58-26-20-51(21-27-58)34-37-74)83-45-55(42-50(6)70(83)78-64)13-10-16-63-66(81-43-47(3)40-48(4)68(81)77-63)57-28-22-52(23-29-57)35-38-75-73(86)79-89(87,88)59-32-18-46(2)19-33-59/h8-9,14-15,18-33,40-45H,7,10-13,16-17,34-39,74H2,1-6H3,(H2,75,79,86)
InChIKeyYRCXLVLIXDTGSL-UHFFFAOYSA-N
XLogP12.66
TPSA190.57 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001203.53
LogP ≤ 512.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea (CID 146406616) is 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea is CCc1nc2c(C)cc(CCCc3nc4c(C)cc(CCCc5nc6c(C)cc(C)cn6c5-c5ccc(CCNC(=O)NS(=O)(=O)c6ccc(C)cc6)cc5)cn4c3-c3ccc(CCN)cc3)cn2c1-c1ccc(CCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
The InChIKey is YRCXLVLIXDTGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H74N10O5S/c1-7-62-65(56-30-24-53(25-31-56)36-39-80-71(84)60-14-8-9-15-61(60)72(80)85)82-44-54(41-49(5)69(82)76-62)12-11-17-64-67(58-26-20-51(21-27-58)34-37-74)83-45-55(42-50(6)70(83)78-64)13-10-16-63-66(81-43-47(3)40-48(4)68(81)77-63)57-28-22-52(23-29-57)35-38-75-73(86)79-89(87,88)59-32-18-46(2)19-33-59/h8-9,14-15,18-33,40-45H,7,10-13,16-17,34-39,74H2,1-6H3,(H2,75,79,86).
What are the key properties of 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea?
1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea has a molecular weight of 1203.53 g/mol, XLogP of 12.66, 22 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[2-[3-[3-[4-(2-aminoethyl)phenyl]-2-[3-[3-[4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl]-2-ethyl-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-8-methylimidazo[1,2-a]pyridin-6-yl]propyl]-6,8-dimethylimidazo[1,2-a]pyridin-3-yl]phenyl]ethyl]-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 146406616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).