5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide

C38H48Cl2N2O9 — CID 175607663

IUPAC5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide
SMILESO=C(CCCCc1cc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)cc1Cl)N(CCCO)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C38H48Cl2N2O9/c39-30-19-25(23-50-38(13-14-38)29-20-41-15-12-27(29)28-7-2-3-8-34(28)51-26-10-11-26)31(40)18-24(30)6-1-4-9-35(47)42(16-5-17-43)21-32(45)36(48)37(49)33(46)22-44/h2-3,7-8,12,15,18-20,26,32-33,36-37,43-46,48-49H,1,4-6,9-11,13-14,16-17,21-23H2
InChIKeyQBGMXWBGZOVKCX-UHFFFAOYSA-N
MW747.71 g/mol
LogP4.16
Rot. Bonds21

About 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide

5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide (PubChem CID 175607663) has the molecular formula C38H48Cl2N2O9 and a molecular weight of 747.71 g/mol. Its IUPAC name is 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide.

Molecular Properties

Compound Name5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide
PubChem CID175607663
Molecular FormulaC38H48Cl2N2O9
Molecular Weight747.71 g/mol
Exact Mass746.27
IUPAC Name5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide
SMILESO=C(CCCCc1cc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)cc1Cl)N(CCCO)CC(O)C(O)C(O)C(O)CO
InChIInChI=1S/C38H48Cl2N2O9/c39-30-19-25(23-50-38(13-14-38)29-20-41-15-12-27(29)28-7-2-3-8-34(28)51-26-10-11-26)31(40)18-24(30)6-1-4-9-35(47)42(16-5-17-43)21-32(45)36(48)37(49)33(46)22-44/h2-3,7-8,12,15,18-20,26,32-33,36-37,43-46,48-49H,1,4-6,9-11,13-14,16-17,21-23H2
InChIKeyQBGMXWBGZOVKCX-UHFFFAOYSA-N
XLogP4.16
TPSA173.04 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds21
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500747.71
LogP ≤ 54.16
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide?
The IUPAC name of 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide (CID 175607663) is 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide.
What is the SMILES notation for 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide?
The canonical SMILES for 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide is O=C(CCCCc1cc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)cc1Cl)N(CCCO)CC(O)C(O)C(O)C(O)CO.
What is the InChIKey of 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide?
The InChIKey is QBGMXWBGZOVKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48Cl2N2O9/c39-30-19-25(23-50-38(13-14-38)29-20-41-15-12-27(29)28-7-2-3-8-34(28)51-26-10-11-26)31(40)18-24(30)6-1-4-9-35(47)42(16-5-17-43)21-32(45)36(48)37(49)33(46)22-44/h2-3,7-8,12,15,18-20,26,32-33,36-37,43-46,48-49H,1,4-6,9-11,13-14,16-17,21-23H2.
What are the key properties of 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide?
5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide has a molecular weight of 747.71 g/mol, XLogP of 4.16, 21 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-(3-hydroxypropyl)-N-(2,3,4,5,6-pentahydroxyhexyl)pentanamide is sourced from PubChem (CID 175607663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).