4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide

C22H21N7O2S — CID 162369517

IUPAC4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nc(C)cs2)c1OC
InChIInChI=1S/C22H21N7O2S/c1-13-12-32-22(25-13)14-7-6-8-15(20(14)31-3)26-16-11-18(27-17-9-4-5-10-24-17)28-29-19(16)21(30)23-2/h4-12H,1-3H3,(H,23,30)(H2,24,26,27,28)
InChIKeyUXRPYFJEYOJUMO-UHFFFAOYSA-N
MW447.52 g/mol
LogP4.16
Rot. Bonds7

About 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide

4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide (PubChem CID 162369517) has the molecular formula C22H21N7O2S and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
PubChem CID162369517
Molecular FormulaC22H21N7O2S
Molecular Weight447.52 g/mol
Exact Mass447.15
IUPAC Name4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nc(C)cs2)c1OC
InChIInChI=1S/C22H21N7O2S/c1-13-12-32-22(25-13)14-7-6-8-15(20(14)31-3)26-16-11-18(27-17-9-4-5-10-24-17)28-29-19(16)21(30)23-2/h4-12H,1-3H3,(H,23,30)(H2,24,26,27,28)
InChIKeyUXRPYFJEYOJUMO-UHFFFAOYSA-N
XLogP4.16
TPSA113.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.52
LogP ≤ 54.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-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 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide (CID 162369517) is 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2ccccn2)cc1Nc1cccc(-c2nc(C)cs2)c1OC.
What is the InChIKey of 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is UXRPYFJEYOJUMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2S/c1-13-12-32-22(25-13)14-7-6-8-15(20(14)31-3)26-16-11-18(27-17-9-4-5-10-24-17)28-29-19(16)21(30)23-2/h4-12H,1-3H3,(H,23,30)(H2,24,26,27,28).
What are the key properties of 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide?
4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 447.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methoxy-3-(4-methyl-1,3-thiazol-2-yl)anilino]-N-methyl-6-(pyridin-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 162369517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).