5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide

C25H25FN6O3 — CID 142580854

IUPAC5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCC(C)(O)Cc4ccc(F)cc4)c3)ccc2n1
InChIInChI=1S/C25H25FN6O3/c1-15-20(24(34)28-14-25(3,35)11-17-4-6-19(26)7-5-17)10-18(12-27-15)21-8-9-23-30-22(29-16(2)33)13-32(23)31-21/h4-10,12-13,35H,11,14H2,1-3H3,(H,28,34)(H,29,33)
InChIKeyKXKRCSQPJDEJBA-UHFFFAOYSA-N
MW476.51 g/mol
LogP2.92
Rot. Bonds7

About 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide

5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide (PubChem CID 142580854) has the molecular formula C25H25FN6O3 and a molecular weight of 476.51 g/mol. Its IUPAC name is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide
PubChem CID142580854
Molecular FormulaC25H25FN6O3
Molecular Weight476.51 g/mol
Exact Mass476.20
IUPAC Name5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide
SMILESCC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCC(C)(O)Cc4ccc(F)cc4)c3)ccc2n1
InChIInChI=1S/C25H25FN6O3/c1-15-20(24(34)28-14-25(3,35)11-17-4-6-19(26)7-5-17)10-18(12-27-15)21-8-9-23-30-22(29-16(2)33)13-32(23)31-21/h4-10,12-13,35H,11,14H2,1-3H3,(H,28,34)(H,29,33)
InChIKeyKXKRCSQPJDEJBA-UHFFFAOYSA-N
XLogP2.92
TPSA121.51 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.51
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide (CID 142580854) is 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide is CC(=O)Nc1cn2nc(-c3cnc(C)c(C(=O)NCC(C)(O)Cc4ccc(F)cc4)c3)ccc2n1.
What is the InChIKey of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide?
The InChIKey is KXKRCSQPJDEJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O3/c1-15-20(24(34)28-14-25(3,35)11-17-4-6-19(26)7-5-17)10-18(12-27-15)21-8-9-23-30-22(29-16(2)33)13-32(23)31-21/h4-10,12-13,35H,11,14H2,1-3H3,(H,28,34)(H,29,33).
What are the key properties of 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide?
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide has a molecular weight of 476.51 g/mol, XLogP of 2.92, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[3-(4-fluorophenyl)-2-hydroxy-2-methylpropyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 142580854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).