6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one

C74H60Cl3N9O3 — CID 155170981

IUPAC6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc(C4CCCCC4)[nH]c3nc2-c2cccc(Cc3cc(-c4cc5c(=O)c(C6CCCC6)c[nH]c5nc4-c4ccccc4Cc4cc(-c5c(-c6ccccc6)nc6[nH]ccc(=O)c6c5C5CC5)cc(Cl)n4)cc(Cl)n3)c2)cc(Cl)n1
InChIInChI=1S/C74H60Cl3N9O3/c1-40-27-48(33-62(75)80-40)54-36-56-61(88)38-59(43-16-4-2-5-17-43)83-73(56)84-68(54)47-21-12-13-41(28-47)29-51-31-49(34-63(76)81-51)55-37-57-71(89)58(42-14-8-9-15-42)39-79-72(57)86-70(55)53-22-11-10-20-46(53)30-52-32-50(35-64(77)82-52)66-65(44-23-24-44)67-60(87)25-26-78-74(67)85-69(66)45-18-6-3-7-19-45/h3,6-7,10-13,18-22,25-28,31-39,42-44H,2,4-5,8-9,14-17,23-24,29-30H2,1H3,(H,78,85,87)(H,79,86,89)(H,83,84,88)
InChIKeyWEUBIDIROJTQHV-UHFFFAOYSA-N
MW1229.71 g/mol
LogP17.62
Rot. Bonds13

About 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one

6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one (PubChem CID 155170981) has the molecular formula C74H60Cl3N9O3 and a molecular weight of 1229.71 g/mol. Its IUPAC name is 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one
PubChem CID155170981
Molecular FormulaC74H60Cl3N9O3
Molecular Weight1229.71 g/mol
Exact Mass1227.39
IUPAC Name6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one
SMILESCc1cc(-c2cc3c(=O)cc(C4CCCCC4)[nH]c3nc2-c2cccc(Cc3cc(-c4cc5c(=O)c(C6CCCC6)c[nH]c5nc4-c4ccccc4Cc4cc(-c5c(-c6ccccc6)nc6[nH]ccc(=O)c6c5C5CC5)cc(Cl)n4)cc(Cl)n3)c2)cc(Cl)n1
InChIInChI=1S/C74H60Cl3N9O3/c1-40-27-48(33-62(75)80-40)54-36-56-61(88)38-59(43-16-4-2-5-17-43)83-73(56)84-68(54)47-21-12-13-41(28-47)29-51-31-49(34-63(76)81-51)55-37-57-71(89)58(42-14-8-9-15-42)39-79-72(57)86-70(55)53-22-11-10-20-46(53)30-52-32-50(35-64(77)82-52)66-65(44-23-24-44)67-60(87)25-26-78-74(67)85-69(66)45-18-6-3-7-19-45/h3,6-7,10-13,18-22,25-28,31-39,42-44H,2,4-5,8-9,14-17,23-24,29-30H2,1H3,(H,78,85,87)(H,79,86,89)(H,83,84,88)
InChIKeyWEUBIDIROJTQHV-UHFFFAOYSA-N
XLogP17.62
TPSA175.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001229.71
LogP ≤ 517.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one?
The IUPAC name of 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one (CID 155170981) is 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one.
What is the SMILES notation for 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one?
The canonical SMILES for 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one is Cc1cc(-c2cc3c(=O)cc(C4CCCCC4)[nH]c3nc2-c2cccc(Cc3cc(-c4cc5c(=O)c(C6CCCC6)c[nH]c5nc4-c4ccccc4Cc4cc(-c5c(-c6ccccc6)nc6[nH]ccc(=O)c6c5C5CC5)cc(Cl)n4)cc(Cl)n3)c2)cc(Cl)n1.
What is the InChIKey of 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one?
The InChIKey is WEUBIDIROJTQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H60Cl3N9O3/c1-40-27-48(33-62(75)80-40)54-36-56-61(88)38-59(43-16-4-2-5-17-43)83-73(56)84-68(54)47-21-12-13-41(28-47)29-51-31-49(34-63(76)81-51)55-37-57-71(89)58(42-14-8-9-15-42)39-79-72(57)86-70(55)53-22-11-10-20-46(53)30-52-32-50(35-64(77)82-52)66-65(44-23-24-44)67-60(87)25-26-78-74(67)85-69(66)45-18-6-3-7-19-45/h3,6-7,10-13,18-22,25-28,31-39,42-44H,2,4-5,8-9,14-17,23-24,29-30H2,1H3,(H,78,85,87)(H,79,86,89)(H,83,84,88).
What are the key properties of 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one?
6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one has a molecular weight of 1229.71 g/mol, XLogP of 17.62, 13 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-6-[[2-[3-[2-chloro-6-[[3-[3-(2-chloro-6-methyl-4-pyridinyl)-7-cyclohexyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-6-cyclopentyl-5-oxo-8H-1,8-naphthyridin-2-yl]phenyl]methyl]-4-pyridinyl]-5-cyclopropyl-7-phenyl-1H-1,8-naphthyridin-4-one is sourced from PubChem (CID 155170981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).