2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride

C76H93Cl3N26O10S4 — CID 158673684

IUPAC2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride
SMILESCC(C)(O)c1ccc(N)nc1.CCN.CCNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CCNC(=O)c1nnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1ncccc1S(C)(=O)=O.CCNC(=O)c1nnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1ncccc1SC.CSc1cccnc1Nc1cc(Cl)nnc1C(=O)O.Cl
InChIInChI=1S/C21H25N7O4S.C21H25N7O2S.C13H14ClN5OS.C11H9ClN4O2S.C8H12N2O.C2H7N.ClH/c1-5-22-20(29)18-14(25-19-15(33(4,31)32)7-6-10-23-19)11-17(27-28-18)26-16-9-8-13(12-24-16)21(2,3)30;1-5-22-20(29)18-14(25-19-15(31-4)7-6-10-23-19)11-17(27-28-18)26-16-9-8-13(12-24-16)21(2,3)30;1-3-15-13(20)11-8(7-10(14)18-19-11)17-12-9(21-2)5-4-6-16-12;1-19-7-3-2-4-13-10(7)14-6-5-8(12)15-16-9(6)11(17)18;1-8(2,11)6-3-4-7(9)10-5-6;1-2-3;/h6-12,30H,5H2,1-4H3,(H,22,29)(H2,23,24,25,26,27);6-12,30H,5H2,1-4H3,(H,22,29)(H2,23,24,25,26,27);4-7H,3H2,1-2H3,(H,15,20)(H,16,17,18);2-5H,1H3,(H,17,18)(H,13,14,15);3-5,11H,1-2H3,(H2,9,10);2-3H2,1H3;1H
InChIKeyGQSMMNFYGZEMAQ-UHFFFAOYSA-N
MW1765.38 g/mol
LogP12.29
Rot. Bonds26

About 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride

2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride (PubChem CID 158673684) has the molecular formula C76H93Cl3N26O10S4 and a molecular weight of 1765.38 g/mol. Its IUPAC name is 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride
PubChem CID158673684
Molecular FormulaC76H93Cl3N26O10S4
Molecular Weight1765.38 g/mol
Exact Mass1762.55
IUPAC Name2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride
SMILESCC(C)(O)c1ccc(N)nc1.CCN.CCNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CCNC(=O)c1nnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1ncccc1S(C)(=O)=O.CCNC(=O)c1nnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1ncccc1SC.CSc1cccnc1Nc1cc(Cl)nnc1C(=O)O.Cl
InChIInChI=1S/C21H25N7O4S.C21H25N7O2S.C13H14ClN5OS.C11H9ClN4O2S.C8H12N2O.C2H7N.ClH/c1-5-22-20(29)18-14(25-19-15(33(4,31)32)7-6-10-23-19)11-17(27-28-18)26-16-9-8-13(12-24-16)21(2,3)30;1-5-22-20(29)18-14(25-19-15(31-4)7-6-10-23-19)11-17(27-28-18)26-16-9-8-13(12-24-16)21(2,3)30;1-3-15-13(20)11-8(7-10(14)18-19-11)17-12-9(21-2)5-4-6-16-12;1-19-7-3-2-4-13-10(7)14-6-5-8(12)15-16-9(6)11(17)18;1-8(2,11)6-3-4-7(9)10-5-6;1-2-3;/h6-12,30H,5H2,1-4H3,(H,22,29)(H2,23,24,25,26,27);6-12,30H,5H2,1-4H3,(H,22,29)(H2,23,24,25,26,27);4-7H,3H2,1-2H3,(H,15,20)(H,16,17,18);2-5H,1H3,(H,17,18)(H,13,14,15);3-5,11H,1-2H3,(H2,9,10);2-3H2,1H3;1H
InChIKeyGQSMMNFYGZEMAQ-UHFFFAOYSA-N
XLogP12.29
TPSA537.00 Ų
H-Bond Donors15
H-Bond Acceptors35
Rotatable Bonds26
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001765.38
LogP ≤ 512.29
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1035

Analyze 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride?
The IUPAC name of 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride (CID 158673684) is 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride.
What is the SMILES notation for 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride?
The canonical SMILES for 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride is CC(C)(O)c1ccc(N)nc1.CCN.CCNC(=O)c1nnc(Cl)cc1Nc1ncccc1SC.CCNC(=O)c1nnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1ncccc1S(C)(=O)=O.CCNC(=O)c1nnc(Nc2ccc(C(C)(C)O)cn2)cc1Nc1ncccc1SC.CSc1cccnc1Nc1cc(Cl)nnc1C(=O)O.Cl.
What is the InChIKey of 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride?
The InChIKey is GQSMMNFYGZEMAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O4S.C21H25N7O2S.C13H14ClN5OS.C11H9ClN4O2S.C8H12N2O.C2H7N.ClH/c1-5-22-20(29)18-14(25-19-15(33(4,31)32)7-6-10-23-19)11-17(27-28-18)26-16-9-8-13(12-24-16)21(2,3)30;1-5-22-20(29)18-14(25-19-15(31-4)7-6-10-23-19)11-17(27-28-18)26-16-9-8-13(12-24-16)21(2,3)30;1-3-15-13(20)11-8(7-10(14)18-19-11)17-12-9(21-2)5-4-6-16-12;1-19-7-3-2-4-13-10(7)14-6-5-8(12)15-16-9(6)11(17)18;1-8(2,11)6-3-4-7(9)10-5-6;1-2-3;/h6-12,30H,5H2,1-4H3,(H,22,29)(H2,23,24,25,26,27);6-12,30H,5H2,1-4H3,(H,22,29)(H2,23,24,25,26,27);4-7H,3H2,1-2H3,(H,15,20)(H,16,17,18);2-5H,1H3,(H,17,18)(H,13,14,15);3-5,11H,1-2H3,(H2,9,10);2-3H2,1H3;1H.
What are the key properties of 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride?
2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride has a molecular weight of 1765.38 g/mol, XLogP of 12.29, 26 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-3-pyridinyl)propan-2-ol;6-chloro-N-ethyl-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid;ethanamine;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxamide;N-ethyl-6-[[5-(2-hydroxypropan-2-yl)-2-pyridinyl]amino]-4-[(3-methylsulfonyl-2-pyridinyl)amino]pyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 158673684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).