acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile

C72H101BCl3FN22O7S2 — CID 164954042

IUPACacetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESC.C.C.C.C.CC(=O)NN.CC(=O)NNC(=O)c1cnc(Cl)cc1NC(C)C.CC(C)Nc1cc(Cl)ncc1C(=O)O.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Cc1nnc(-c2cnc(-c3ccc4cc(C#N)cnn34)cc2NC(C)C)s1.Cc1nnc(-c2cnc(Cl)cc2NC(C)C)s1.[2H]CF
InChIInChI=1S/C19H17N7S.C14H16BN3O2.C11H15ClN4O2.C11H13ClN4S.C9H11ClN2O2.C2H6N2O.CH3F.5CH4/c1-11(2)23-16-7-17(21-10-15(16)19-25-24-12(3)27-19)18-5-4-14-6-13(8-20)9-22-26(14)18;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-6(2)14-9-4-10(12)13-5-8(9)11(18)16-15-7(3)17;1-6(2)14-9-4-10(12)13-5-8(9)11-16-15-7(3)17-11;1-5(2)12-7-3-8(10)11-4-6(7)9(13)14;1-2(5)4-3;1-2;;;;;/h4-7,9-11H,1-3H3,(H,21,23);5-7,9H,1-4H3;4-6H,1-3H3,(H,13,14)(H,15,17)(H,16,18);4-6H,1-3H3,(H,13,14);3-5H,1-2H3,(H,11,12)(H,13,14);3H2,1H3,(H,4,5);1H3;5*1H4/i;;;;;;1D;;;;;
InChIKeyAXTWUKZACPWMAG-IOTURCFGSA-N
MW1588.06 g/mol
LogP15.15
Rot. Bonds14

About acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile

acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile (PubChem CID 164954042) has the molecular formula C72H101BCl3FN22O7S2 and a molecular weight of 1588.06 g/mol. Its IUPAC name is acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile.

Molecular Properties

Compound Nameacetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
PubChem CID164954042
Molecular FormulaC72H101BCl3FN22O7S2
Molecular Weight1588.06 g/mol
Exact Mass1585.69
IUPAC Nameacetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
SMILESC.C.C.C.C.CC(=O)NN.CC(=O)NNC(=O)c1cnc(Cl)cc1NC(C)C.CC(C)Nc1cc(Cl)ncc1C(=O)O.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Cc1nnc(-c2cnc(-c3ccc4cc(C#N)cnn34)cc2NC(C)C)s1.Cc1nnc(-c2cnc(Cl)cc2NC(C)C)s1.[2H]CF
InChIInChI=1S/C19H17N7S.C14H16BN3O2.C11H15ClN4O2.C11H13ClN4S.C9H11ClN2O2.C2H6N2O.CH3F.5CH4/c1-11(2)23-16-7-17(21-10-15(16)19-25-24-12(3)27-19)18-5-4-14-6-13(8-20)9-22-26(14)18;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-6(2)14-9-4-10(12)13-5-8(9)11(18)16-15-7(3)17;1-6(2)14-9-4-10(12)13-5-8(9)11-16-15-7(3)17-11;1-5(2)12-7-3-8(10)11-4-6(7)9(13)14;1-2(5)4-3;1-2;;;;;/h4-7,9-11H,1-3H3,(H,21,23);5-7,9H,1-4H3;4-6H,1-3H3,(H,13,14)(H,15,17)(H,16,18);4-6H,1-3H3,(H,13,14);3-5H,1-2H3,(H,11,12)(H,13,14);3H2,1H3,(H,4,5);1H3;5*1H4/i;;;;;;1D;;;;;
InChIKeyAXTWUKZACPWMAG-IOTURCFGSA-N
XLogP15.15
TPSA402.50 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds14
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001588.06
LogP ≤ 515.15
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile with MolForge

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Related Compounds

N-(2-acetamido-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-acetamido-1,3-thiazol-4-yl)-6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-4-(propan-2-ylamino)pyridine-3-carboxamide;N-(2-amino-1,3-thiazol-4-yl)-6-chloro-4-(propan-2-ylamino)pyridine-3-carboxamide;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;methane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;1,3-thiazole-2,4-diamine
CID 157196167
lithium;4-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]bicyclo[2.2.2]octane-1-carboxylic acid;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]amino]pyridine-3-carboxamide;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[4-(1,3,4-thiadiazol-2-yl)-1-bicyclo[2.2.2]octanyl]amino]pyridine-3-carboxamide;formohydrazide;methyl 4-[[2-chloro-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-4-pyridinyl]amino]bicyclo[2.2.2]octane-1-carboxylate;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;hydroxide;iodide
CID 158813330
(3R)-4-amino-3-fluoro-2-methylbutan-2-ol;6-chloro-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;6-chloro-4-(pyridin-3-ylamino)pyridine-3-carboxylic acid;6-(3-cyanopyrrolo[1,2-b]pyridazin-7-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(pyridin-3-ylamino)pyridine-3-carboxamide;4,6-dichloropyridine-3-carboxylic acid;oxolane;pyridin-3-amine;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile;iodide;hydrochloride
CID 159787946
2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;methane;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 164976721
4-[5-[6-Chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-1,1,1-trideuterio-2-methylbutan-2-ol;methyl 3-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]propanoate;7-[4-(propan-2-ylamino)-5-[5-(4,4,4-trideuterio-3-hydroxy-3-methylbutyl)-1,3,4-thiadiazol-2-yl]-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 165097082
2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;1-[5-[6-chloro-4-(propan-2-ylamino)-3-pyridinyl]-1,3,4-thiadiazol-2-yl]-2-methylpropan-2-ol;7-[5-[5-(2-hydroxy-2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;propan-2-one;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile
CID 167653777

Frequently Asked Questions

What is the IUPAC name of acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The IUPAC name of acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile (CID 164954042) is acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile.
What is the SMILES notation for acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The canonical SMILES for acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile is C.C.C.C.C.CC(=O)NN.CC(=O)NNC(=O)c1cnc(Cl)cc1NC(C)C.CC(C)Nc1cc(Cl)ncc1C(=O)O.CC1(C)OB(c2ccc3cc(C#N)cnn23)OC1(C)C.Cc1nnc(-c2cnc(-c3ccc4cc(C#N)cnn34)cc2NC(C)C)s1.Cc1nnc(-c2cnc(Cl)cc2NC(C)C)s1.[2H]CF.
What is the InChIKey of acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?
The InChIKey is AXTWUKZACPWMAG-IOTURCFGSA-N. The full InChI is InChI=1S/C19H17N7S.C14H16BN3O2.C11H15ClN4O2.C11H13ClN4S.C9H11ClN2O2.C2H6N2O.CH3F.5CH4/c1-11(2)23-16-7-17(21-10-15(16)19-25-24-12(3)27-19)18-5-4-14-6-13(8-20)9-22-26(14)18;1-13(2)14(3,4)20-15(19-13)12-6-5-11-7-10(8-16)9-17-18(11)12;1-6(2)14-9-4-10(12)13-5-8(9)11(18)16-15-7(3)17;1-6(2)14-9-4-10(12)13-5-8(9)11-16-15-7(3)17-11;1-5(2)12-7-3-8(10)11-4-6(7)9(13)14;1-2(5)4-3;1-2;;;;;/h4-7,9-11H,1-3H3,(H,21,23);5-7,9H,1-4H3;4-6H,1-3H3,(H,13,14)(H,15,17)(H,16,18);4-6H,1-3H3,(H,13,14);3-5H,1-2H3,(H,11,12)(H,13,14);3H2,1H3,(H,4,5);1H3;5*1H4/i;;;;;;1D;;;;;.
What are the key properties of acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile?
acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile has a molecular weight of 1588.06 g/mol, XLogP of 15.15, 14 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for acetohydrazide;N'-acetyl-6-chloro-4-(propan-2-ylamino)pyridine-3-carbohydrazide;2-chloro-5-(5-methyl-1,3,4-thiadiazol-2-yl)-N-propan-2-ylpyridin-4-amine;6-chloro-4-(propan-2-ylamino)pyridine-3-carboxylic acid;deuterio(fluoro)methane;methane;7-[5-(5-methyl-1,3,4-thiadiazol-2-yl)-4-(propan-2-ylamino)-2-pyridinyl]pyrrolo[1,2-b]pyridazine-3-carbonitrile;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[1,2-b]pyridazine-3-carbonitrile is sourced from PubChem (CID 164954042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).