2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one

C22H28N4O — CID 137464299

IUPAC2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one
SMILESCc1cc(=O)n(C)nc1-c1[nH]c2ccc(C3CCNCC3)cc2c1C(C)C
InChIInChI=1S/C22H28N4O/c1-13(2)20-17-12-16(15-7-9-23-10-8-15)5-6-18(17)24-22(20)21-14(3)11-19(27)26(4)25-21/h5-6,11-13,15,23-24H,7-10H2,1-4H3
InChIKeySGADBWIWKXIMKT-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.83
Rot. Bonds3

About 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one

2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one (PubChem CID 137464299) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one
PubChem CID137464299
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one
SMILESCc1cc(=O)n(C)nc1-c1[nH]c2ccc(C3CCNCC3)cc2c1C(C)C
InChIInChI=1S/C22H28N4O/c1-13(2)20-17-12-16(15-7-9-23-10-8-15)5-6-18(17)24-22(20)21-14(3)11-19(27)26(4)25-21/h5-6,11-13,15,23-24H,7-10H2,1-4H3
InChIKeySGADBWIWKXIMKT-UHFFFAOYSA-N
XLogP3.83
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one with MolForge

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Launch Full Analysis

Related Compounds

6-fluoro-2-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrazolo[1,5-a]pyrimidine
CID 142593738
2,4,5-trimethyl-6-[5-[1-(oxan-4-yl)piperidin-4-yl]-3-propan-2-yl-1H-indol-2-yl]pyridazin-3-one
CID 137464519
5-piperidin-4-yl-3-propan-2-yl-2-(2,3,6-trimethyl-4-pyridinyl)-1H-indole
CID 134330320
3-methyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1,3-benzoxazol-2-one
CID 142594476
6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142594847
5-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[1,2-a]pyridine
CID 142594108
3-methyl-7-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)imidazo[4,5-b]pyridine
CID 142593803
4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 142594728
2-(3-fluoro-2-methyl-4-pyridinyl)-5-piperidin-4-yl-3-propan-2-yl-1H-indole
CID 134329624
1-methyl-5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-3-prop-1-en-2-ylpyridin-2-one
CID 137464469
5-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-2H-benzotriazole
CID 142593838
3-methyl-4-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 142593745

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one?
The IUPAC name of 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one (CID 137464299) is 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one.
What is the SMILES notation for 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one?
The canonical SMILES for 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one is Cc1cc(=O)n(C)nc1-c1[nH]c2ccc(C3CCNCC3)cc2c1C(C)C.
What is the InChIKey of 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one?
The InChIKey is SGADBWIWKXIMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-13(2)20-17-12-16(15-7-9-23-10-8-15)5-6-18(17)24-22(20)21-14(3)11-19(27)26(4)25-21/h5-6,11-13,15,23-24H,7-10H2,1-4H3.
What are the key properties of 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one?
2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one has a molecular weight of 364.49 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-(5-piperidin-4-yl-3-propan-2-yl-1H-indol-2-yl)pyridazin-3-one is sourced from PubChem (CID 137464299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).