N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide

C38H39N7O2 — CID 123529064

IUPACN-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide
SMILESCCC1C=Cc2c(CC(=O)Nc3ccc(C4CCCC(c5ccc(NC(=O)Cc6cccc7[nH]ccc67)nn5)C4)nn3)cccc2C1
InChIInChI=1S/C38H39N7O2/c1-2-24-12-13-30-25(20-24)6-3-7-26(30)22-37(46)40-35-16-14-32(42-44-35)28-9-4-10-29(21-28)33-15-17-36(45-43-33)41-38(47)23-27-8-5-11-34-31(27)18-19-39-34/h3,5-8,11-19,24,28-29,39H,2,4,9-10,20-23H2,1H3,(H,40,44,46)(H,41,45,47)
InChIKeyCTYAITXYCUSAIH-UHFFFAOYSA-N
MW625.78 g/mol
LogP7.15
Rot. Bonds9

About N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide

N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide (PubChem CID 123529064) has the molecular formula C38H39N7O2 and a molecular weight of 625.78 g/mol. Its IUPAC name is N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide.

Molecular Properties

Compound NameN-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide
PubChem CID123529064
Molecular FormulaC38H39N7O2
Molecular Weight625.78 g/mol
Exact Mass625.32
IUPAC NameN-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide
SMILESCCC1C=Cc2c(CC(=O)Nc3ccc(C4CCCC(c5ccc(NC(=O)Cc6cccc7[nH]ccc67)nn5)C4)nn3)cccc2C1
InChIInChI=1S/C38H39N7O2/c1-2-24-12-13-30-25(20-24)6-3-7-26(30)22-37(46)40-35-16-14-32(42-44-35)28-9-4-10-29(21-28)33-15-17-36(45-43-33)41-38(47)23-27-8-5-11-34-31(27)18-19-39-34/h3,5-8,11-19,24,28-29,39H,2,4,9-10,20-23H2,1H3,(H,40,44,46)(H,41,45,47)
InChIKeyCTYAITXYCUSAIH-UHFFFAOYSA-N
XLogP7.15
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.78
LogP ≤ 57.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide with MolForge

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Related Compounds

6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one
CID 44593854
(6aR,9R,10aR)-2-tert-butyl-N-(6-chloropyridazin-3-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 44269075
(6aR,9R,10aR)-N-(6-chloropyridazin-3-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 44269131
(6aR,9R,10aR)-3-tert-butyl-N-(6-chloropyridazin-3-yl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 44269142
4-(isoquinolin-5-yl)-N-(2-methyl-1H-indol-5-yl)phthalazin-1-amine
CID 44409110
3-amino-N-[3-(quinolin-4-ylamino)-1H-indazol-5-yl]cyclohexane-1-carboxamide
CID 145957913
2-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 164608820
2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 164616994
2-(1-benzylpiperidin-4-yl)-N-(6-pyridin-3-yl-1H-indazol-3-yl)acetamide
CID 164619829
2-(1H-indol-3-ylmethyl)-9-(4-methylphthalazin-1-yl)-2,9-diazaspiro[5.5]undecan-1-one
CID 67252504
2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one
CID 137297224
1-[6-(dimethylamino)pyridazin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 46297910

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide?
The IUPAC name of N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide (CID 123529064) is N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide.
What is the SMILES notation for N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide?
The canonical SMILES for N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide is CCC1C=Cc2c(CC(=O)Nc3ccc(C4CCCC(c5ccc(NC(=O)Cc6cccc7[nH]ccc67)nn5)C4)nn3)cccc2C1.
What is the InChIKey of N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide?
The InChIKey is CTYAITXYCUSAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39N7O2/c1-2-24-12-13-30-25(20-24)6-3-7-26(30)22-37(46)40-35-16-14-32(42-44-35)28-9-4-10-29(21-28)33-15-17-36(45-43-33)41-38(47)23-27-8-5-11-34-31(27)18-19-39-34/h3,5-8,11-19,24,28-29,39H,2,4,9-10,20-23H2,1H3,(H,40,44,46)(H,41,45,47).
What are the key properties of N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide?
N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide has a molecular weight of 625.78 g/mol, XLogP of 7.15, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-[6-[[2-(6-ethyl-5,6-dihydronaphthalen-1-yl)acetyl]amino]pyridazin-3-yl]cyclohexyl]pyridazin-3-yl]-2-(1H-indol-4-yl)acetamide is sourced from PubChem (CID 123529064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).