N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate

C121H137Cl6N5O18 — CID 167535457

About N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate

N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate (PubChem CID 167535457) has the molecular formula C121H137Cl6N5O18 and a molecular weight of 2162.16 g/mol. Its IUPAC name is N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate.

Molecular Properties

• Compound Name: N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate
• PubChem CID: 167535457
• Molecular Formula: C121H137Cl6N5O18
• Molecular Weight: 2162.16 g/mol
• Exact Mass: 2157.81
• IUPAC Name: N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate
• SMILES: C.C.C.COC(=O)CCCCc1cc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)cc1Cl.O=C(CCCCc1cc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)cc1Cl)N(Cc1ccccc1)C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO.O=C(O)CCCCc1cc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)cc1Cl.OC1(c2cnccc2-c2ccccc2OC2CC2)CC1
• InChI: InChI=1S/C42H48Cl2N2O8.C30H31Cl2NO4.C29H29Cl2NO4.C17H17NO2.3CH4/c43-34-21-29(26-53-42(17-18-42)33-22-45-19-16-31(33)32-11-5-6-12-38(32)54-30-14-15-30)35(44)20-28(34)10-4-7-13-39(50)46(23-27-8-2-1-3-9-27)24-36(48)40(51)41(52)37(49)25-47;1-35-29(34)9-5-2-6-20-16-27(32)21(17-26(20)31)19-36-30(13-14-30)25-18-33-15-12-23(25)24-7-3-4-8-28(24)37-22-10-11-22;30-25-16-20(26(31)15-19(25)5-1-4-8-28(33)34)18-35-29(12-13-29)24-17-32-14-11-22(24)23-6-2-3-7-27(23)36-21-9-10-21;19-17(8-9-17)15-11-18-10-7-13(15)14-3-1-2-4-16(14)20-12-5-6-12;;;/h1-3,5-6,8-9,11-12,16,19-22,30,36-37,40-41,47-49,51-52H,4,7,10,13-15,17-18,23-26H2;3-4,7-8,12,15-18,22H,2,5-6,9-11,13-14,19H2,1H3;2-3,6-7,11,14-17,21H,1,4-5,8-10,12-13,18H2,(H,33,34);1-4,7,10-12,19H,5-6,8-9H2;3*1H4/t36-,37-,40+,41-;;;;;;/m1....../s1
• InChIKey: AMTCMVHKUGXLQQ-FCWVPTTFSA-N
• XLogP: 26.45
• TPSA: 321.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 48
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2162.16
LogP ≤ 5	26.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate?

The IUPAC name of N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate (CID 167535457) is N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate.

What is the SMILES notation for N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate?

The canonical SMILES for N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate is C.C.C.COC(=O)CCCCc1cc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)cc1Cl.O=C(CCCCc1cc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)cc1Cl)N(Cc1ccccc1)C[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO.O=C(O)CCCCc1cc(Cl)c(COC2(c3cnccc3-c3ccccc3OC3CC3)CC2)cc1Cl.OC1(c2cnccc2-c2ccccc2OC2CC2)CC1.

What is the InChIKey of N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate?

The InChIKey is AMTCMVHKUGXLQQ-FCWVPTTFSA-N. The full InChI is InChI=1S/C42H48Cl2N2O8.C30H31Cl2NO4.C29H29Cl2NO4.C17H17NO2.3CH4/c43-34-21-29(26-53-42(17-18-42)33-22-45-19-16-31(33)32-11-5-6-12-38(32)54-30-14-15-30)35(44)20-28(34)10-4-7-13-39(50)46(23-27-8-2-1-3-9-27)24-36(48)40(51)41(52)37(49)25-47;1-35-29(34)9-5-2-6-20-16-27(32)21(17-26(20)31)19-36-30(13-14-30)25-18-33-15-12-23(25)24-7-3-4-8-28(24)37-22-10-11-22;30-25-16-20(26(31)15-19(25)5-1-4-8-28(33)34)18-35-29(12-13-29)24-17-32-14-11-22(24)23-6-2-3-7-27(23)36-21-9-10-21;19-17(8-9-17)15-11-18-10-7-13(15)14-3-1-2-4-16(14)20-12-5-6-12;;;/h1-3,5-6,8-9,11-12,16,19-22,30,36-37,40-41,47-49,51-52H,4,7,10,13-15,17-18,23-26H2;3-4,7-8,12,15-18,22H,2,5-6,9-11,13-14,19H2,1H3;2-3,6-7,11,14-17,21H,1,4-5,8-10,12-13,18H2,(H,33,34);1-4,7,10-12,19H,5-6,8-9H2;3*1H4/t36-,37-,40+,41-;;;;;;/m1....../s1.

What are the key properties of N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate?

N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate has a molecular weight of 2162.16 g/mol, XLogP of 26.45, 48 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-N-[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]pentanamide;1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-ol;5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoic acid;methane;methyl 5-[2,5-dichloro-4-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]pentanoate is sourced from PubChem (CID 167535457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).