6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide

C42H46N14O5 — CID 159762825

IUPAC6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(C#CC2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.CNC(=O)c1nnc(OC2CCCC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C21H25N7O3.C21H21N7O2/c1-22-21(29)18-16(11-17(25-26-18)31-13-7-4-5-8-13)24-15-10-6-9-14(19(15)30-3)20-23-12-28(2)27-20;1-22-21(29)18-17(11-14(25-26-18)10-9-13-7-8-13)24-16-6-4-5-15(19(16)30-3)20-23-12-28(2)27-20/h6,9-13H,4-5,7-8H2,1-3H3,(H,22,29)(H,24,25);4-6,11-13H,7-8H2,1-3H3,(H,22,29)(H,24,25)
InChIKeyNFCMULOPGFLION-UHFFFAOYSA-N
MW826.92 g/mol
LogP4.85
Rot. Bonds12

About 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide

6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide (PubChem CID 159762825) has the molecular formula C42H46N14O5 and a molecular weight of 826.92 g/mol. Its IUPAC name is 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
PubChem CID159762825
Molecular FormulaC42H46N14O5
Molecular Weight826.92 g/mol
Exact Mass826.38
IUPAC Name6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1nnc(C#CC2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.CNC(=O)c1nnc(OC2CCCC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC
InChIInChI=1S/C21H25N7O3.C21H21N7O2/c1-22-21(29)18-16(11-17(25-26-18)31-13-7-4-5-8-13)24-15-10-6-9-14(19(15)30-3)20-23-12-28(2)27-20;1-22-21(29)18-17(11-14(25-26-18)10-9-13-7-8-13)24-16-6-4-5-15(19(16)30-3)20-23-12-28(2)27-20/h6,9-13H,4-5,7-8H2,1-3H3,(H,22,29)(H,24,25);4-6,11-13H,7-8H2,1-3H3,(H,22,29)(H,24,25)
InChIKeyNFCMULOPGFLION-UHFFFAOYSA-N
XLogP4.85
TPSA222.93 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.92
LogP ≤ 54.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide with MolForge

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Related Compounds

4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 159808982
6-[(1,1-dioxothietane-3-carbonyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 166780262
6-[3-(azetidin-1-yl)propanoylamino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 170739182
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(3-methyl-2-oxoimidazol-1-yl)pyridazine-3-carboxamide
CID 162120099
6-[(5-acetyl-2-pyridinyl)amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 175179670
6-[[5-(azetidin-1-yl)-2-pyridinyl]amino]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;methane
CID 163894422
6-(heptanoylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 170739278
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-(2-oxo-3-propylimidazolidin-1-yl)pyridazine-3-carboxamide
CID 160526347
6-[3-(cyanomethyl)-2-oxoimidazolidin-1-yl]-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide
CID 160965870
6-(cyclopropanecarbonylamino)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]pyridazine-3-carboxamide
CID 90142086
4-[3-[1-(2-aminoethyl)-1,2,4-triazol-3-yl]-2-methoxyanilino]-6-(cyclopropanecarbonylamino)-N-methylpyridazine-3-carboxamide
CID 170928308
4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methyl-6-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]pyridazine-3-carboxamide
CID 162232489

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide (CID 159762825) is 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1nnc(C#CC2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.CNC(=O)c1nnc(OC2CCCC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC.
What is the InChIKey of 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide?
The InChIKey is NFCMULOPGFLION-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3.C21H21N7O2/c1-22-21(29)18-16(11-17(25-26-18)31-13-7-4-5-8-13)24-15-10-6-9-14(19(15)30-3)20-23-12-28(2)27-20;1-22-21(29)18-17(11-14(25-26-18)10-9-13-7-8-13)24-16-6-4-5-15(19(16)30-3)20-23-12-28(2)27-20/h6,9-13H,4-5,7-8H2,1-3H3,(H,22,29)(H,24,25);4-6,11-13H,7-8H2,1-3H3,(H,22,29)(H,24,25).
What are the key properties of 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide?
6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide has a molecular weight of 826.92 g/mol, XLogP of 4.85, 12 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyloxy-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide;6-(2-cyclopropylethynyl)-4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 159762825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).