N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide

C20H19N9O2 — CID 155041719

IUPACN-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2-c2ncc[nH]2)cccc1-c1ncn[nH]1
InChIInChI=1S/C20H19N9O2/c1-31-17-12(18-23-10-24-29-18)3-2-4-13(17)25-14-9-15(26-20(30)11-5-6-11)27-28-16(14)19-21-7-8-22-19/h2-4,7-11H,5-6H2,1H3,(H,21,22)(H,23,24,29)(H2,25,26,27,30)
InChIKeyVZAYZJNMBIUIPU-UHFFFAOYSA-N
MW417.43 g/mol
LogP2.75
Rot. Bonds7

About N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide

N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide (PubChem CID 155041719) has the molecular formula C20H19N9O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide
PubChem CID155041719
Molecular FormulaC20H19N9O2
Molecular Weight417.43 g/mol
Exact Mass417.17
IUPAC NameN-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide
SMILESCOc1c(Nc2cc(NC(=O)C3CC3)nnc2-c2ncc[nH]2)cccc1-c1ncn[nH]1
InChIInChI=1S/C20H19N9O2/c1-31-17-12(18-23-10-24-29-18)3-2-4-13(17)25-14-9-15(26-20(30)11-5-6-11)27-28-16(14)19-21-7-8-22-19/h2-4,7-11H,5-6H2,1H3,(H,21,22)(H,23,24,29)(H2,25,26,27,30)
InChIKeyVZAYZJNMBIUIPU-UHFFFAOYSA-N
XLogP2.75
TPSA146.39 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.43
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]anilino]-N-methylpyridazine-3-carboxamide
CID 157270222
N-[6-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-5-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 154663016
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[4-(1H-pyrazol-5-yl)-2-pyridinyl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171604055
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methylpyrazol-3-yl)anilino]pyridazine-3-carboxamide
CID 170965480
N-[6-acetyl-5-[3-(5-diethylphosphanyl-1-methylpyrazol-3-yl)-2-methoxyanilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 166171165
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-[5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrimidin-2-yl]anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 171604042
4-[3-(5-amino-1,3-thiazol-2-yl)-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 166584853
2-[3-[[6-(cyclopropanecarbonylamino)-3-(trideuteriomethylcarbamoyl)pyridazin-4-yl]amino]-2-methoxyphenyl]pyrimidine-5-carboxylic acid
CID 157028739
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1,3-oxazol-4-yl)anilino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 170775386
N-[5-[3-(5-fluoro-6-methyl-3-pyridinyl)-2-methoxyanilino]-6-formylpyridazin-3-yl]cyclopropanecarboxamide
CID 167486253
6-(cyclopropanecarbonylamino)-4-[3-[1-(2,2-difluoroethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]pyridazine-3-carboxylic acid
CID 175512496

Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide (CID 155041719) is N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide is COc1c(Nc2cc(NC(=O)C3CC3)nnc2-c2ncc[nH]2)cccc1-c1ncn[nH]1.
What is the InChIKey of N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide?
The InChIKey is VZAYZJNMBIUIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9O2/c1-31-17-12(18-23-10-24-29-18)3-2-4-13(17)25-14-9-15(26-20(30)11-5-6-11)27-28-16(14)19-21-7-8-22-19/h2-4,7-11H,5-6H2,1H3,(H,21,22)(H,23,24,29)(H2,25,26,27,30).
What are the key properties of N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide?
N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide has a molecular weight of 417.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-imidazol-2-yl)-5-[2-methoxy-3-(1H-1,2,4-triazol-5-yl)anilino]pyridazin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 155041719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).