6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

C14H13ClN6O2 — CID 168873777

IUPAC6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1ncn2cccc2c1OC
InChIInChI=1S/C14H13ClN6O2/c1-16-14(22)11-8(6-10(15)19-20-11)18-13-12(23-2)9-4-3-5-21(9)7-17-13/h3-7H,1-2H3,(H,16,22)(H,18,19)/i1D3
InChIKeyGLTYRMZGRBTEAB-FIBGUPNXSA-N
MW335.77 g/mol
LogP1.89
Rot. Bonds5

About 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide

6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (PubChem CID 168873777) has the molecular formula C14H13ClN6O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
PubChem CID168873777
Molecular FormulaC14H13ClN6O2
Molecular Weight335.77 g/mol
Exact Mass335.10
IUPAC Name6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
SMILES[2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1ncn2cccc2c1OC
InChIInChI=1S/C14H13ClN6O2/c1-16-14(22)11-8(6-10(15)19-20-11)18-13-12(23-2)9-4-3-5-21(9)7-17-13/h3-7H,1-2H3,(H,16,22)(H,18,19)/i1D3
InChIKeyGLTYRMZGRBTEAB-FIBGUPNXSA-N
XLogP1.89
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-[(3,6-dimethyl-2-pyridinyl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161261168
6-chloro-4-[[1-[5-(dimethylcarbamoyl)-2-pyridinyl]-2-oxo-3-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 176909151
6-chloro-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;bis(6-[[(1R,2R)-2-ethylcyclopropanecarbonyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide)
CID 167590940
6-chloro-4-[2-methoxy-3-(1-methylimidazo[2,1-e]pyrazol-6-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 170781741
6-acetamido-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 160676484
6-chloro-N-methyl-4-[(3-methyl-2-pyridinyl)amino]pyridazine-3-carboxamide
CID 157463237
6-[(5-chloro-4-methyl-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161345578
4-[5-[[(6-amino-3-fluoro-2-pyridinyl)methyl-methylamino]methyl]-2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-chloro-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171436820
sodium;6-(3-acetyl-2-oxoimidazolidin-1-yl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;6-chloro-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide;4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-6-(2-oxoimidazolidin-1-yl)-N-(trideuteriomethyl)pyridazine-3-carboxamide;hydroxide
CID 158343159
6-[(4-fluoro-2-pyridinyl)amino]-4-[[3-methoxy-4-(1-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 161095047
6-[[ethyl(methyl)carbamoyl]amino]-4-[[3-methoxy-4-(2-methyltriazol-4-yl)-2-pyridinyl]amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175822304
6-chloro-4-[2-methoxy-3-(1-propan-2-yltriazol-4-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 118462873

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide (CID 168873777) is 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is [2H]C([2H])([2H])NC(=O)c1nnc(Cl)cc1Nc1ncn2cccc2c1OC.
What is the InChIKey of 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
The InChIKey is GLTYRMZGRBTEAB-FIBGUPNXSA-N. The full InChI is InChI=1S/C14H13ClN6O2/c1-16-14(22)11-8(6-10(15)19-20-11)18-13-12(23-2)9-4-3-5-21(9)7-17-13/h3-7H,1-2H3,(H,16,22)(H,18,19)/i1D3.
What are the key properties of 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide?
6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide has a molecular weight of 335.77 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(4-methoxypyrrolo[1,2-c]pyrimidin-3-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 168873777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).