N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide

C27H30N4O2 — CID 20892087

IUPACN-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
SMILESCc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NC4CCCC4)c(=O)c32)c(C)c1
InChIInChI=1S/C27H30N4O2/c1-17-12-18(2)23(19(3)13-17)15-30-24-11-7-6-10-21(24)22-14-28-31(27(33)26(22)30)16-25(32)29-20-8-4-5-9-20/h6-7,10-14,20H,4-5,8-9,15-16H2,1-3H3,(H,29,32)
InChIKeyKEQFICUEVCXQDF-UHFFFAOYSA-N
MW442.56 g/mol
LogP4.38
Rot. Bonds5

About N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide

N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide (PubChem CID 20892087) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
PubChem CID20892087
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
SMILESCc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NC4CCCC4)c(=O)c32)c(C)c1
InChIInChI=1S/C27H30N4O2/c1-17-12-18(2)23(19(3)13-17)15-30-24-11-7-6-10-21(24)22-14-28-31(27(33)26(22)30)16-25(32)29-20-8-4-5-9-20/h6-7,10-14,20H,4-5,8-9,15-16H2,1-3H3,(H,29,32)
InChIKeyKEQFICUEVCXQDF-UHFFFAOYSA-N
XLogP4.38
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide with MolForge

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Related Compounds

N-(2-methylcyclohexyl)-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 20892100
N-cyclopentyl-2-[5-[(2,5-dimethylphenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]acetamide
CID 20892048
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 92668590
2-[5-[(3-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-cyclopentylacetamide
CID 20892259
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-(4-methylcyclohexyl)acetamide
CID 6623641
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-4-one
CID 20892082
N-(2-morpholin-4-ylethyl)-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide
CID 20892104
N-cyclohexyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53054967
N-cyclopropyl-2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)acetamide
CID 53043934
2-[5-[(2-fluorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-(2-methylcyclohexyl)acetamide
CID 20892210
2-(5-benzyl-4-oxopyridazino[4,5-b]indol-3-yl)-N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 98466593
N-cyclopentyl-2-(7-ethyl-4-methyl-9-oxo-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl)acetamide
CID 16670609

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide (CID 20892087) is N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide is Cc1cc(C)c(Cn2c3ccccc3c3cnn(CC(=O)NC4CCCC4)c(=O)c32)c(C)c1.
What is the InChIKey of N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide?
The InChIKey is KEQFICUEVCXQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-17-12-18(2)23(19(3)13-17)15-30-24-11-7-6-10-21(24)22-14-28-31(27(33)26(22)30)16-25(32)29-20-8-4-5-9-20/h6-7,10-14,20H,4-5,8-9,15-16H2,1-3H3,(H,29,32).
What are the key properties of N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide?
N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide has a molecular weight of 442.56 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-oxo-5-[(2,4,6-trimethylphenyl)methyl]pyridazino[4,5-b]indol-3-yl]acetamide is sourced from PubChem (CID 20892087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).