2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide

C50H41Cl3N6O8 — CID 123435480

IUPAC2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1cc(Cl)nc(OC)c1)c(C)n2Cc1ccc(Cl)c(-c2cnc(OC)cc2NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3cc(OC)ccc23)c1
InChIInChI=1S/C50H41Cl3N6O8/c1-26-45(34-14-12-33(65-4)21-41(34)59(26)24-28-7-10-30(51)11-8-28)47(60)50(63)56-39-22-43(66-5)54-23-37(39)35-17-29(9-15-38(35)52)25-58-27(2)46(36-20-32(64-3)13-16-40(36)58)48(61)49(62)55-31-18-42(53)57-44(19-31)67-6/h7-23H,24-25H2,1-6H3,(H,54,56,63)(H,55,57,62)
InChIKeyHSYZNCDKAPEJTF-UHFFFAOYSA-N
MW960.27 g/mol
LogP10.40
Rot. Bonds15

About 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide

2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide (PubChem CID 123435480) has the molecular formula C50H41Cl3N6O8 and a molecular weight of 960.27 g/mol. Its IUPAC name is 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide
PubChem CID123435480
Molecular FormulaC50H41Cl3N6O8
Molecular Weight960.27 g/mol
Exact Mass958.21
IUPAC Name2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide
SMILESCOc1ccc2c(c1)c(C(=O)C(=O)Nc1cc(Cl)nc(OC)c1)c(C)n2Cc1ccc(Cl)c(-c2cnc(OC)cc2NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3cc(OC)ccc23)c1
InChIInChI=1S/C50H41Cl3N6O8/c1-26-45(34-14-12-33(65-4)21-41(34)59(26)24-28-7-10-30(51)11-8-28)47(60)50(63)56-39-22-43(66-5)54-23-37(39)35-17-29(9-15-38(35)52)25-58-27(2)46(36-20-32(64-3)13-16-40(36)58)48(61)49(62)55-31-18-42(53)57-44(19-31)67-6/h7-23H,24-25H2,1-6H3,(H,54,56,63)(H,55,57,62)
InChIKeyHSYZNCDKAPEJTF-UHFFFAOYSA-N
XLogP10.40
TPSA164.90 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500960.27
LogP ≤ 510.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide?
The IUPAC name of 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide (CID 123435480) is 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide.
What is the SMILES notation for 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide?
The canonical SMILES for 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide is COc1ccc2c(c1)c(C(=O)C(=O)Nc1cc(Cl)nc(OC)c1)c(C)n2Cc1ccc(Cl)c(-c2cnc(OC)cc2NC(=O)C(=O)c2c(C)n(Cc3ccc(Cl)cc3)c3cc(OC)ccc23)c1.
What is the InChIKey of 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide?
The InChIKey is HSYZNCDKAPEJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H41Cl3N6O8/c1-26-45(34-14-12-33(65-4)21-41(34)59(26)24-28-7-10-30(51)11-8-28)47(60)50(63)56-39-22-43(66-5)54-23-37(39)35-17-29(9-15-38(35)52)25-58-27(2)46(36-20-32(64-3)13-16-40(36)58)48(61)49(62)55-31-18-42(53)57-44(19-31)67-6/h7-23H,24-25H2,1-6H3,(H,54,56,63)(H,55,57,62).
What are the key properties of 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide?
2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide has a molecular weight of 960.27 g/mol, XLogP of 10.40, 15 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-chloro-3-[4-[[2-[1-[(4-chlorophenyl)methyl]-6-methoxy-2-methylindol-3-yl]-2-oxoacetyl]amino]-6-methoxy-3-pyridinyl]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]-N-(2-chloro-6-methoxy-4-pyridinyl)-2-oxoacetamide is sourced from PubChem (CID 123435480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).