2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one

C25H25N5O3 — CID 55836433

IUPAC2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C25H25N5O3/c31-23-9-8-22(28-30(23)15-16-33-19-5-2-1-3-6-19)25(32)29-13-10-18(11-14-29)21-17-27-24-20(21)7-4-12-26-24/h1-9,12,17-18H,10-11,13-16H2,(H,26,27)
InChIKeyKXYYORLWZWMAMD-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.22
Rot. Bonds6

About 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one

2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one (PubChem CID 55836433) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one
PubChem CID55836433
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one
SMILESO=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C25H25N5O3/c31-23-9-8-22(28-30(23)15-16-33-19-5-2-1-3-6-19)25(32)29-13-10-18(11-14-29)21-17-27-24-20(21)7-4-12-26-24/h1-9,12,17-18H,10-11,13-16H2,(H,26,27)
InChIKeyKXYYORLWZWMAMD-UHFFFAOYSA-N
XLogP3.22
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one 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

6-[4-[hydroxy(phenyl)methyl]piperidine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 51112139
6-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 36562735
isoquinolin-3-yl-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749283
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
(4-methoxyphenyl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749250
6-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 33466549
(2R)-2-phenoxy-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 124731707
(5-methoxypyrazin-2-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749473
3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]propanoic acid
CID 136516251
6-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-2-(2-phenoxyethyl)pyridazin-3-one
CID 38047108
(5-methyl-1-phenylpyrazol-4-yl)-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 162749277
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38213819

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one?
The IUPAC name of 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one (CID 55836433) is 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one.
What is the SMILES notation for 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one?
The canonical SMILES for 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one is O=C(c1ccc(=O)n(CCOc2ccccc2)n1)N1CCC(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one?
The InChIKey is KXYYORLWZWMAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c31-23-9-8-22(28-30(23)15-16-33-19-5-2-1-3-6-19)25(32)29-13-10-18(11-14-29)21-17-27-24-20(21)7-4-12-26-24/h1-9,12,17-18H,10-11,13-16H2,(H,26,27).
What are the key properties of 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one?
2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one has a molecular weight of 443.51 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethyl)-6-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)piperidine-1-carbonyl]pyridazin-3-one is sourced from PubChem (CID 55836433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).