(2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine

C91H127F9N26O2 — CID 158502199

About (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine

(2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine (PubChem CID 158502199) has the molecular formula C91H127F9N26O2 and a molecular weight of 1788.18 g/mol. Its IUPAC name is (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine.

Molecular Properties

• Compound Name: (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine
• PubChem CID: 158502199
• Molecular Formula: C91H127F9N26O2
• Molecular Weight: 1788.18 g/mol
• Exact Mass: 1787.05
• IUPAC Name: (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine
• SMILES: C/C=C(CCC)/C(=N\c1cc2cn[nH]c2cc1N1CCNCC1)c1cn[nH]c1.C/C=C(\CCC)C(NC1=CC2C=NNC2C=C1N1CCOC(C)C1)c1cn[nH]c1.CCCC/C=C/C(N/C=C/C1C=NNC1/C=C/N1CCO[C@H](C)C1)c1cn[nH]c1.CCCc1c(-c2cn[nH]c2C)nc2c(N(CCC)CCN)cc3[nH]ncc3c2c1C.FC(F)F.FC(F)F.FC(F)F
• InChI: InChI=1S/C23H31N7.C22H32N6O.C22H34N6O.C21H27N7.3CHF3/c1-5-7-16-14(3)21-18-13-26-29-19(18)11-20(30(9-6-2)10-8-24)23(21)27-22(16)17-12-25-28-15(17)4;1-4-6-16(5-2)22(18-12-23-24-13-18)26-20-9-17-11-25-27-19(17)10-21(20)28-7-8-29-15(3)14-28;1-3-4-5-6-7-21(20-15-24-25-16-20)23-10-8-19-14-26-27-22(19)9-11-28-12-13-29-18(2)17-28;1-3-5-15(4-2)21(17-13-23-24-14-17)26-19-10-16-12-25-27-18(16)11-20(19)28-8-6-22-7-9-28;3*2-1(3)4/h11-13H,5-10,24H2,1-4H3,(H,25,28)(H,26,29);5,9-13,15,17,19,22,26-27H,4,6-8,14H2,1-3H3,(H,23,24);6-11,14-16,18-19,21-23,27H,3-5,12-13,17H2,1-2H3,(H,24,25);4,10-14,22H,3,5-9H2,1-2H3,(H,23,24)(H,25,27);3*1H/b;16-5+;7-6+,10-8+,11-9+;15-4+,26-21+;;;/t;;18-,19?,21?,22?;;;;/m..1..../s1
• InChIKey: HKAJORCSEVBKRE-CDSVLXQASA-N
• XLogP: 17.32
• TPSA: 339.64 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 31
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1788.18
LogP ≤ 5	17.32
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine?

The IUPAC name of (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine (CID 158502199) is (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine.

What is the SMILES notation for (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine?

The canonical SMILES for (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine is C/C=C(CCC)/C(=N\c1cc2cn[nH]c2cc1N1CCNCC1)c1cn[nH]c1.C/C=C(\CCC)C(NC1=CC2C=NNC2C=C1N1CCOC(C)C1)c1cn[nH]c1.CCCC/C=C/C(N/C=C/C1C=NNC1/C=C/N1CCO[C@H](C)C1)c1cn[nH]c1.CCCc1c(-c2cn[nH]c2C)nc2c(N(CCC)CCN)cc3[nH]ncc3c2c1C.FC(F)F.FC(F)F.FC(F)F.

What is the InChIKey of (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine?

The InChIKey is HKAJORCSEVBKRE-CDSVLXQASA-N. The full InChI is InChI=1S/C23H31N7.C22H32N6O.C22H34N6O.C21H27N7.3CHF3/c1-5-7-16-14(3)21-18-13-26-29-19(18)11-20(30(9-6-2)10-8-24)23(21)27-22(16)17-12-25-28-15(17)4;1-4-6-16(5-2)22(18-12-23-24-13-18)26-20-9-17-11-25-27-19(17)10-21(20)28-7-8-29-15(3)14-28;1-3-4-5-6-7-21(20-15-24-25-16-20)23-10-8-19-14-26-27-22(19)9-11-28-12-13-29-18(2)17-28;1-3-5-15(4-2)21(17-13-23-24-14-17)26-19-10-16-12-25-27-18(16)11-20(19)28-8-6-22-7-9-28;3*2-1(3)4/h11-13H,5-10,24H2,1-4H3,(H,25,28)(H,26,29);5,9-13,15,17,19,22,26-27H,4,6-8,14H2,1-3H3,(H,23,24);6-11,14-16,18-19,21-23,27H,3-5,12-13,17H2,1-2H3,(H,24,25);4,10-14,22H,3,5-9H2,1-2H3,(H,23,24)(H,25,27);3*1H/b;16-5+;7-6+,10-8+,11-9+;15-4+,26-21+;;;/t;;18-,19?,21?,22?;;;;/m..1..../s1.

What are the key properties of (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine?

(2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine has a molecular weight of 1788.18 g/mol, XLogP of 17.32, 31 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2E)-2-ethylidene-N-(6-piperazin-1-yl-1H-indazol-5-yl)-1-(1H-pyrazol-4-yl)pentan-1-imine;N-[(2E)-2-ethylidene-1-(1H-pyrazol-4-yl)pentyl]-6-(2-methylmorpholin-4-yl)-3a,7a-dihydro-1H-indazol-5-amine;fluoroform;N'-[9-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8-propyl-3H-pyrazolo[4,3-f]quinolin-5-yl]-N'-propylethane-1,2-diamine;(E)-N-[(E)-2-[5-[(E)-2-[(2R)-2-methylmorpholin-4-yl]ethenyl]-4,5-dihydro-1H-pyrazol-4-yl]ethenyl]-1-(1H-pyrazol-4-yl)hept-2-en-1-amine is sourced from PubChem (CID 158502199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).