5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide

C64H68Cl3N11O6 — CID 123460023

IUPAC5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cc(-c2cccc(NCC3CCOC(C4CC(C(=O)Nc5cc(-c6cccc(NCC7CCOC(c8cncc(C(=O)Nc9cc(-c%10cccc(NCC%11CCOCC%11)c%10)c(Cl)cn9)c8)C7)c6)c(Cl)cn5)CN4)C3)c2)c(Cl)cn1
InChIInChI=1S/C64H68Cl3N11O6/c1-38(79)76-60-26-51(54(65)35-73-60)42-5-3-10-50(23-42)71-31-41-14-18-84-59(20-41)57-25-47(34-72-57)64(81)78-62-28-53(56(67)37-75-62)44-7-4-9-49(24-44)70-30-40-13-17-83-58(19-40)45-21-46(33-68-32-45)63(80)77-61-27-52(55(66)36-74-61)43-6-2-8-48(22-43)69-29-39-11-15-82-16-12-39/h2-10,21-24,26-28,32-33,35-37,39-41,47,57-59,69-72H,11-20,25,29-31,34H2,1H3,(H,73,76,79)(H,74,77,80)(H,75,78,81)
InChIKeyGOQOJWXUPHGJPP-UHFFFAOYSA-N
MW1193.68 g/mol
LogP12.68
Rot. Bonds19

About 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide

5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide (PubChem CID 123460023) has the molecular formula C64H68Cl3N11O6 and a molecular weight of 1193.68 g/mol. Its IUPAC name is 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide
PubChem CID123460023
Molecular FormulaC64H68Cl3N11O6
Molecular Weight1193.68 g/mol
Exact Mass1191.44
IUPAC Name5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide
SMILESCC(=O)Nc1cc(-c2cccc(NCC3CCOC(C4CC(C(=O)Nc5cc(-c6cccc(NCC7CCOC(c8cncc(C(=O)Nc9cc(-c%10cccc(NCC%11CCOCC%11)c%10)c(Cl)cn9)c8)C7)c6)c(Cl)cn5)CN4)C3)c2)c(Cl)cn1
InChIInChI=1S/C64H68Cl3N11O6/c1-38(79)76-60-26-51(54(65)35-73-60)42-5-3-10-50(23-42)71-31-41-14-18-84-59(20-41)57-25-47(34-72-57)64(81)78-62-28-53(56(67)37-75-62)44-7-4-9-49(24-44)70-30-40-13-17-83-58(19-40)45-21-46(33-68-32-45)63(80)77-61-27-52(55(66)36-74-61)43-6-2-8-48(22-43)69-29-39-11-15-82-16-12-39/h2-10,21-24,26-28,32-33,35-37,39-41,47,57-59,69-72H,11-20,25,29-31,34H2,1H3,(H,73,76,79)(H,74,77,80)(H,75,78,81)
InChIKeyGOQOJWXUPHGJPP-UHFFFAOYSA-N
XLogP12.68
TPSA214.67 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms84
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001193.68
LogP ≤ 512.68
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Analyze 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 77401595
2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R,5R)-5-(fluoromethyl)pyrrolidin-3-yl]ethanone
CID 160595387
2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(2S)-oxolan-2-yl]ethanone
CID 158548924
[4-[[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]amino]cyclohexyl]methanol
CID 67691867
(3S,6R)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]-6-(trifluoromethyl)piperidine-3-carboxamide
CID 123426883
2-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-1-[(3R,5S)-5-(trifluoromethyl)piperidin-3-yl]ethanone
CID 159888925
N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]-2-(1-propan-2-ylsulfonylpiperidin-3-yl)acetamide
CID 123737371
(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]-1,4-oxazepane-6-carboxamide
CID 77407667
N-[5-chloro-4-[3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]pyrimidine-5-carboxamide
CID 90413503
2-[5-chloro-4-[3-[[(4R)-2,2-dimethyloxan-4-yl]methylamino]phenyl]-2-pyridinyl]-1-[(3R,6R)-6-methylpiperidin-3-yl]ethanone
CID 146866515
methyl 3-[[5-chloro-4-[2-chloro-5-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 77401600

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide (CID 123460023) is 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide is CC(=O)Nc1cc(-c2cccc(NCC3CCOC(C4CC(C(=O)Nc5cc(-c6cccc(NCC7CCOC(c8cncc(C(=O)Nc9cc(-c%10cccc(NCC%11CCOCC%11)c%10)c(Cl)cn9)c8)C7)c6)c(Cl)cn5)CN4)C3)c2)c(Cl)cn1.
What is the InChIKey of 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
The InChIKey is GOQOJWXUPHGJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H68Cl3N11O6/c1-38(79)76-60-26-51(54(65)35-73-60)42-5-3-10-50(23-42)71-31-41-14-18-84-59(20-41)57-25-47(34-72-57)64(81)78-62-28-53(56(67)37-75-62)44-7-4-9-49(24-44)70-30-40-13-17-83-58(19-40)45-21-46(33-68-32-45)63(80)77-61-27-52(55(66)36-74-61)43-6-2-8-48(22-43)69-29-39-11-15-82-16-12-39/h2-10,21-24,26-28,32-33,35-37,39-41,47,57-59,69-72H,11-20,25,29-31,34H2,1H3,(H,73,76,79)(H,74,77,80)(H,75,78,81).
What are the key properties of 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide?
5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide has a molecular weight of 1193.68 g/mol, XLogP of 12.68, 19 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-[2-[[5-[4-[[3-(2-acetamido-5-chloro-4-pyridinyl)anilino]methyl]oxan-2-yl]pyrrolidine-3-carbonyl]amino]-5-chloro-4-pyridinyl]anilino]methyl]oxan-2-yl]-N-[5-chloro-4-[3-(oxan-4-ylmethylamino)phenyl]-2-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 123460023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).