3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane

C119H130Cl4FN41O6 — CID 159351702

About 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane (PubChem CID 159351702) has the molecular formula C119H130Cl4FN41O6 and a molecular weight of 2391.44 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane.

Molecular Properties

• Compound Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane
• PubChem CID: 159351702
• Molecular Formula: C119H130Cl4FN41O6
• Molecular Weight: 2391.44 g/mol
• Exact Mass: 2387.99
• IUPAC Name: 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane
• SMILES: C.C.C.C.C[C@@H](NC(=O)c1nc(-c2ccc(C3(O)CCNCC3)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccc(CN3CCCC3)c(F)c2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccc(CN3CC[C@H](O)C3)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2cccc(N3CCNCC3)c2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12
• InChI: InChI=1S/C29H28ClFN10O.2C29H29ClN10O2.C28H28ClN11O.4CH4/c1-17(28-38-37-25-10-9-24(39-41(25)28)35-21-6-4-5-20(30)14-21)34-29(42)26-27(32)33-15-23(36-26)18-7-8-19(22(31)13-18)16-40-11-2-3-12-40;1-17(27-38-37-24-10-9-23(39-40(24)27)35-21-4-2-3-20(30)15-21)34-28(41)25-26(31)33-16-22(36-25)18-5-7-19(8-6-18)29(42)11-13-32-14-12-29;1-17(28-37-36-25-10-9-24(38-40(25)28)34-21-4-2-3-20(30)13-21)33-29(42)26-27(31)32-14-23(35-26)19-7-5-18(6-8-19)15-39-12-11-22(41)16-39;1-17(27-37-36-24-9-8-23(38-40(24)27)34-20-6-3-5-19(29)15-20)33-28(41)25-26(30)32-16-22(35-25)18-4-2-7-21(14-18)39-12-10-31-11-13-39;;;;/h4-10,13-15,17H,2-3,11-12,16H2,1H3,(H2,32,33)(H,34,42)(H,35,39);2-10,15-17,32,42H,11-14H2,1H3,(H2,31,33)(H,34,41)(H,35,39);2-10,13-14,17,22,41H,11-12,15-16H2,1H3,(H2,31,32)(H,33,42)(H,34,38);2-9,14-17,31H,10-13H2,1H3,(H2,30,32)(H,33,41)(H,34,38);4*1H4/t2*17-;17-,22+;17-;;;;/m1111..../s1
• InChIKey: LHKDTWIMESZHGE-XHNMYJRTSA-N
• XLogP: 18.03
• TPSA: 618.28 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 43
• Rotatable Bonds: 30
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2391.44
LogP ≤ 5	18.03
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane?

The IUPAC name of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane (CID 159351702) is 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane.

What is the SMILES notation for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane?

The canonical SMILES for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane is C.C.C.C.C[C@@H](NC(=O)c1nc(-c2ccc(C3(O)CCNCC3)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccc(CN3CCCC3)c(F)c2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2ccc(CN3CC[C@H](O)C3)cc2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.C[C@@H](NC(=O)c1nc(-c2cccc(N3CCNCC3)c2)cnc1N)c1nnc2ccc(Nc3cccc(Cl)c3)nn12.

What is the InChIKey of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane?

The InChIKey is LHKDTWIMESZHGE-XHNMYJRTSA-N. The full InChI is InChI=1S/C29H28ClFN10O.2C29H29ClN10O2.C28H28ClN11O.4CH4/c1-17(28-38-37-25-10-9-24(39-41(25)28)35-21-6-4-5-20(30)14-21)34-29(42)26-27(32)33-15-23(36-26)18-7-8-19(22(31)13-18)16-40-11-2-3-12-40;1-17(27-38-37-24-10-9-23(39-40(24)27)35-21-4-2-3-20(30)15-21)34-28(41)25-26(31)33-16-22(36-25)18-5-7-19(8-6-18)29(42)11-13-32-14-12-29;1-17(28-37-36-25-10-9-24(38-40(25)28)34-21-4-2-3-20(30)13-21)33-29(42)26-27(31)32-14-23(35-26)19-7-5-18(6-8-19)15-39-12-11-22(41)16-39;1-17(27-37-36-24-9-8-23(38-40(24)27)34-20-6-3-5-19(29)15-20)33-28(41)25-26(30)32-16-22(35-25)18-4-2-7-21(14-18)39-12-10-31-11-13-39;;;;/h4-10,13-15,17H,2-3,11-12,16H2,1H3,(H2,32,33)(H,34,42)(H,35,39);2-10,15-17,32,42H,11-14H2,1H3,(H2,31,33)(H,34,41)(H,35,39);2-10,13-14,17,22,41H,11-12,15-16H2,1H3,(H2,31,32)(H,33,42)(H,34,38);2-9,14-17,31H,10-13H2,1H3,(H2,30,32)(H,33,41)(H,34,38);4*1H4/t2*17-;17-,22+;17-;;;;/m1111..../s1.

What are the key properties of 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane?

3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane has a molecular weight of 2391.44 g/mol, XLogP of 18.03, 30 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-(4-hydroxypiperidin-4-yl)phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-[4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]pyrazine-2-carboxamide;3-amino-N-[(1R)-1-[6-(3-chloroanilino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-6-(3-piperazin-1-ylphenyl)pyrazine-2-carboxamide;methane is sourced from PubChem (CID 159351702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).