6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide

C24H24FN9O3 — CID 163387500

IUPAC6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide
SMILESCCONC(=O)c1nnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C24H24FN9O3/c1-5-37-34-24(35)21-18(10-20(32-33-21)31-19-9-13(2)28-14(3)29-19)30-17-8-6-7-16(22(17)36-4)23-26-11-15(25)12-27-23/h6-12H,5H2,1-4H3,(H,34,35)(H2,28,29,30,31,32)
InChIKeyYPNNOTSBPZNULZ-UHFFFAOYSA-N
MW505.51 g/mol
LogP3.66
Rot. Bonds9

About 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide

6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide (PubChem CID 163387500) has the molecular formula C24H24FN9O3 and a molecular weight of 505.51 g/mol. Its IUPAC name is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide
PubChem CID163387500
Molecular FormulaC24H24FN9O3
Molecular Weight505.51 g/mol
Exact Mass505.20
IUPAC Name6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide
SMILESCCONC(=O)c1nnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC
InChIInChI=1S/C24H24FN9O3/c1-5-37-34-24(35)21-18(10-20(32-33-21)31-19-9-13(2)28-14(3)29-19)30-17-8-6-7-16(22(17)36-4)23-26-11-15(25)12-27-23/h6-12H,5H2,1-4H3,(H,34,35)(H2,28,29,30,31,32)
InChIKeyYPNNOTSBPZNULZ-UHFFFAOYSA-N
XLogP3.66
TPSA148.96 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.51
LogP ≤ 53.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]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

Related Compounds

4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-6-[[4-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-N-(2,2,2-trideuterioethyl)pyridazine-3-carboxamide
CID 157028716
N-ethoxy-6-[(5-fluoro-2-pyridinyl)amino]-4-[[(4S)-2,4,5-trimethyl-4H-[1,2,4]triazolo[1,5-a]quinoxalin-6-yl]amino]pyridazine-3-carboxamide
CID 170960773
6-[(1-cyclopropylpyrazol-3-yl)amino]-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166492823
N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridazine-3-carboxamide
CID 175427899
[4-[3-[[6-[(2,6-dimethylpyrimidin-4-yl)amino]-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]triazol-1-yl] 2,2-dimethylbutanoate
CID 150052628
4-[3-[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-N-ethoxypyridazine-3-carboxamide
CID 175966216
4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxy-6-(pyrimidin-2-ylamino)pyridine-3-carboxamide
CID 163387560
4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxy-6-[[3-fluoro-2-(fluoromethyl)propanoyl]amino]pyridine-3-carboxamide
CID 170281954
6-[(2,5-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[5-fluoro-2-methoxy-3-(5-methylpyrimidin-2-yl)anilino]pyridine-3-carboxamide
CID 167101505
4-[[4-(5-fluoropyrimidin-2-yl)-3-methoxy-2-pyridinyl]amino]-6-(pyridin-2-ylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 158922092
6-(1-carbamoyl-2,2-difluorocyclopropyl)-4-[3-(5-chloropyrimidin-2-yl)-2-methoxyanilino]-N-ethoxypyridine-3-carboxamide
CID 175304155
6-chloro-N-ethoxy-4-[3-(5-fluoro-2-pyridinyl)-2-methoxyanilino]pyridine-3-carboxamide
CID 163387350

Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide?
The IUPAC name of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide (CID 163387500) is 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide is CCONC(=O)c1nnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncc(F)cn2)c1OC.
What is the InChIKey of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide?
The InChIKey is YPNNOTSBPZNULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN9O3/c1-5-37-34-24(35)21-18(10-20(32-33-21)31-19-9-13(2)28-14(3)29-19)30-17-8-6-7-16(22(17)36-4)23-26-11-15(25)12-27-23/h6-12H,5H2,1-4H3,(H,34,35)(H2,28,29,30,31,32).
What are the key properties of 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide?
6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide has a molecular weight of 505.51 g/mol, XLogP of 3.66, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dimethylpyrimidin-4-yl)amino]-N-ethoxy-4-[3-(5-fluoropyrimidin-2-yl)-2-methoxyanilino]pyridazine-3-carboxamide is sourced from PubChem (CID 163387500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).