ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C68H83F3N22O — CID 143921359

About ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 143921359) has the molecular formula C68H83F3N22O and a molecular weight of 1281.56 g/mol. Its IUPAC name is ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 143921359
• Molecular Formula: C68H83F3N22O
• Molecular Weight: 1281.56 g/mol
• Exact Mass: 1280.71
• IUPAC Name: ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
• SMILES: CC.CC.CCN(C)CCNC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1.Cc1cc(Nc2nc(C(c3ccc(F)cc3)N3CCCC3)nn3cccc23)n[nH]1.Cc1cc(Nc2nc(C(c3ccc(F)cc3)N3CCOCC3)nn3cccc23)n[nH]1
• InChI: InChI=1S/C22H27FN8.C21H22FN7O.C21H22FN7.2C2H6/c1-4-30(3)13-11-24-20(16-7-9-17(23)10-8-16)22-26-21(18-6-5-12-31(18)29-22)25-19-14-15(2)27-28-19;1-14-13-18(26-25-14)23-20-17-3-2-8-29(17)27-21(24-20)19(28-9-11-30-12-10-28)15-4-6-16(22)7-5-15;1-14-13-18(26-25-14)23-20-17-5-4-12-29(17)27-21(24-20)19(28-10-2-3-11-28)15-6-8-16(22)9-7-15;2*1-2/h5-10,12,14,20,24H,4,11,13H2,1-3H3,(H2,25,26,27,28,29);2-8,13,19H,9-12H2,1H3,(H2,23,24,25,26,27);4-9,12-13,19H,2-3,10-11H2,1H3,(H2,23,24,25,26,27);2*1-2H3
• InChIKey: NHHCCRORFFRYFS-UHFFFAOYSA-N
• XLogP: 12.22
• TPSA: 243.68 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1281.56
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 143921359) is ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is CC.CC.CCN(C)CCNC(c1ccc(F)cc1)c1nc(Nc2cc(C)[nH]n2)c2cccn2n1.Cc1cc(Nc2nc(C(c3ccc(F)cc3)N3CCCC3)nn3cccc23)n[nH]1.Cc1cc(Nc2nc(C(c3ccc(F)cc3)N3CCOCC3)nn3cccc23)n[nH]1.

What is the InChIKey of ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is NHHCCRORFFRYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN8.C21H22FN7O.C21H22FN7.2C2H6/c1-4-30(3)13-11-24-20(16-7-9-17(23)10-8-16)22-26-21(18-6-5-12-31(18)29-22)25-19-14-15(2)27-28-19;1-14-13-18(26-25-14)23-20-17-3-2-8-29(17)27-21(24-20)19(28-9-11-30-12-10-28)15-4-6-16(22)7-5-15;1-14-13-18(26-25-14)23-20-17-5-4-12-29(17)27-21(24-20)19(28-10-2-3-11-28)15-6-8-16(22)9-7-15;2*1-2/h5-10,12,14,20,24H,4,11,13H2,1-3H3,(H2,25,26,27,28,29);2-8,13,19H,9-12H2,1H3,(H2,23,24,25,26,27);4-9,12-13,19H,2-3,10-11H2,1H3,(H2,23,24,25,26,27);2*1-2H3.

What are the key properties of ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?

ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 1281.56 g/mol, XLogP of 12.22, 19 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N'-ethyl-N-[(4-fluorophenyl)-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]-N'-methylethane-1,2-diamine;2-[(4-fluorophenyl)-morpholin-4-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine;2-[(4-fluorophenyl)-pyrrolidin-1-ylmethyl]-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 143921359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).