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

C44H54N16O7Si — CID 157270222

IUPAC6-(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
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(COCC[Si](C)(C)C)n2)c1OC.CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn[nH]2)c1OC
InChIInChI=1S/C25H34N8O4Si.C19H20N8O3/c1-26-25(35)21-19(13-20(30-31-21)29-24(34)16-9-10-16)28-18-8-6-7-17(22(18)36-2)23-27-14-33(32-23)15-37-11-12-38(3,4)5;1-20-19(29)15-13(8-14(25-26-15)24-18(28)10-6-7-10)23-12-5-3-4-11(16(12)30-2)17-21-9-22-27-17/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,26,35)(H2,28,29,30,34);3-5,8-10H,6-7H2,1-2H3,(H,20,29)(H,21,22,27)(H2,23,24,25,28)
InChIKeyAYLGWXPONRWKOA-UHFFFAOYSA-N
MW947.11 g/mol
LogP5.23
Rot. Bonds19

About 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

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 (PubChem CID 157270222) has the molecular formula C44H54N16O7Si and a molecular weight of 947.11 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID157270222
Molecular FormulaC44H54N16O7Si
Molecular Weight947.11 g/mol
Exact Mass946.41
IUPAC Name6-(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
SMILESCNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(COCC[Si](C)(C)C)n2)c1OC.CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn[nH]2)c1OC
InChIInChI=1S/C25H34N8O4Si.C19H20N8O3/c1-26-25(35)21-19(13-20(30-31-21)29-24(34)16-9-10-16)28-18-8-6-7-17(22(18)36-2)23-27-14-33(32-23)15-37-11-12-38(3,4)5;1-20-19(29)15-13(8-14(25-26-15)24-18(28)10-6-7-10)23-12-5-3-4-11(16(12)30-2)17-21-9-22-27-17/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,26,35)(H2,28,29,30,34);3-5,8-10H,6-7H2,1-2H3,(H,20,29)(H,21,22,27)(H2,23,24,25,28)
InChIKeyAYLGWXPONRWKOA-UHFFFAOYSA-N
XLogP5.23
TPSA291.99 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds19
Heavy Atoms68
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500947.11
LogP ≤ 55.23
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(COCC[Si](C)(C)C)n2)c1OC.CNC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn[nH]2)c1OC.
What is the InChIKey of 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?
The InChIKey is AYLGWXPONRWKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N8O4Si.C19H20N8O3/c1-26-25(35)21-19(13-20(30-31-21)29-24(34)16-9-10-16)28-18-8-6-7-17(22(18)36-2)23-27-14-33(32-23)15-37-11-12-38(3,4)5;1-20-19(29)15-13(8-14(25-26-15)24-18(28)10-6-7-10)23-12-5-3-4-11(16(12)30-2)17-21-9-22-27-17/h6-8,13-14,16H,9-12,15H2,1-5H3,(H,26,35)(H2,28,29,30,34);3-5,8-10H,6-7H2,1-2H3,(H,20,29)(H,21,22,27)(H2,23,24,25,28).
What are the key properties of 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?
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 has a molecular weight of 947.11 g/mol, XLogP of 5.23, 19 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157270222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).