4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide

C21H19N9O2 — CID 162369525

IUPAC4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2cnccn2)cc1Nc1cccc(-c2ncccn2)c1OC
InChIInChI=1S/C21H19N9O2/c1-22-21(31)18-15(11-16(29-30-18)28-17-12-23-9-10-24-17)27-14-6-3-5-13(19(14)32-2)20-25-7-4-8-26-20/h3-12H,1-2H3,(H,22,31)(H2,24,27,28,29)
InChIKeyWEGCMIRUASPCPF-UHFFFAOYSA-N
MW429.44 g/mol
LogP2.58
Rot. Bonds7

About 4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide

4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide (PubChem CID 162369525) has the molecular formula C21H19N9O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound Name4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide
PubChem CID162369525
Molecular FormulaC21H19N9O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(Nc2cnccn2)cc1Nc1cccc(-c2ncccn2)c1OC
InChIInChI=1S/C21H19N9O2/c1-22-21(31)18-15(11-16(29-30-18)28-17-12-23-9-10-24-17)27-14-6-3-5-13(19(14)32-2)20-25-7-4-8-26-20/h3-12H,1-2H3,(H,22,31)(H2,24,27,28,29)
InChIKeyWEGCMIRUASPCPF-UHFFFAOYSA-N
XLogP2.58
TPSA139.73 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.44
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-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-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide?
The IUPAC name of 4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide (CID 162369525) is 4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide.
What is the SMILES notation for 4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide?
The canonical SMILES for 4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide is CNC(=O)c1nnc(Nc2cnccn2)cc1Nc1cccc(-c2ncccn2)c1OC.
What is the InChIKey of 4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide?
The InChIKey is WEGCMIRUASPCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N9O2/c1-22-21(31)18-15(11-16(29-30-18)28-17-12-23-9-10-24-17)27-14-6-3-5-13(19(14)32-2)20-25-7-4-8-26-20/h3-12H,1-2H3,(H,22,31)(H2,24,27,28,29).
What are the key properties of 4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide?
4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-3-pyrimidin-2-ylanilino)-N-methyl-6-(pyrazin-2-ylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 162369525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).