ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole

C70H72N20 — CID 145253966

IUPACethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
SMILESC=C/C(C)=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(N5CCN(C)CC5)ccnc4[nH]3)c2c1.CC.CN1CCN(c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)cc23)CC1.Cc1ccc2cc(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)[nH]c2n1
InChIInChI=1S/C27H30N6.C23H22N8.C18H14N6.C2H6/c1-5-18(3)15-19(6-2)20-7-8-23-21(16-20)26(31-30-23)24-17-22-25(9-10-28-27(22)29-24)33-13-11-32(4)12-14-33;1-30-8-10-31(11-9-30)21-4-5-26-23-17(21)13-19(27-23)22-16-12-15(2-3-18(16)28-29-22)20-14-24-6-7-25-20;1-10-2-3-12-7-16(22-18(12)21-10)17-14-6-11(13-8-19-20-9-13)4-5-15(14)23-24-17;1-2/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,29)(H,30,31);2-7,12-14H,8-11H2,1H3,(H,26,27)(H,28,29);2-9H,1H3,(H,19,20)(H,21,22)(H,23,24);1-2H3/b18-15-,19-6+;;;
InChIKeyXJSABXGOULKDBQ-IOFXEMLTSA-N
MW1193.49 g/mol
LogP13.54
Rot. Bonds10

About ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole

ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole (PubChem CID 145253966) has the molecular formula C70H72N20 and a molecular weight of 1193.49 g/mol. Its IUPAC name is ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole.

Molecular Properties

Compound Nameethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
PubChem CID145253966
Molecular FormulaC70H72N20
Molecular Weight1193.49 g/mol
Exact Mass1192.62
IUPAC Nameethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole
SMILESC=C/C(C)=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(N5CCN(C)CC5)ccnc4[nH]3)c2c1.CC.CN1CCN(c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)cc23)CC1.Cc1ccc2cc(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)[nH]c2n1
InChIInChI=1S/C27H30N6.C23H22N8.C18H14N6.C2H6/c1-5-18(3)15-19(6-2)20-7-8-23-21(16-20)26(31-30-23)24-17-22-25(9-10-28-27(22)29-24)33-13-11-32(4)12-14-33;1-30-8-10-31(11-9-30)21-4-5-26-23-17(21)13-19(27-23)22-16-12-15(2-3-18(16)28-29-22)20-14-24-6-7-25-20;1-10-2-3-12-7-16(22-18(12)21-10)17-14-6-11(13-8-19-20-9-13)4-5-15(14)23-24-17;1-2/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,29)(H,30,31);2-7,12-14H,8-11H2,1H3,(H,26,27)(H,28,29);2-9H,1H3,(H,19,20)(H,21,22)(H,23,24);1-2H3/b18-15-,19-6+;;;
InChIKeyXJSABXGOULKDBQ-IOFXEMLTSA-N
XLogP13.54
TPSA239.50 Ų
H-Bond Donors7
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001193.49
LogP ≤ 513.54
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole with MolForge

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Related Compounds

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7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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7-(2,5-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
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Frequently Asked Questions

What is the IUPAC name of ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole?
The IUPAC name of ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole (CID 145253966) is ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole.
What is the SMILES notation for ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole?
The canonical SMILES for ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole is C=C/C(C)=C\C(=C/C)c1ccc2[nH]nc(-c3cc4c(N5CCN(C)CC5)ccnc4[nH]3)c2c1.CC.CN1CCN(c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)cc23)CC1.Cc1ccc2cc(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)[nH]c2n1.
What is the InChIKey of ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole?
The InChIKey is XJSABXGOULKDBQ-IOFXEMLTSA-N. The full InChI is InChI=1S/C27H30N6.C23H22N8.C18H14N6.C2H6/c1-5-18(3)15-19(6-2)20-7-8-23-21(16-20)26(31-30-23)24-17-22-25(9-10-28-27(22)29-24)33-13-11-32(4)12-14-33;1-30-8-10-31(11-9-30)21-4-5-26-23-17(21)13-19(27-23)22-16-12-15(2-3-18(16)28-29-22)20-14-24-6-7-25-20;1-10-2-3-12-7-16(22-18(12)21-10)17-14-6-11(13-8-19-20-9-13)4-5-15(14)23-24-17;1-2/h5-10,15-17H,1,11-14H2,2-4H3,(H,28,29)(H,30,31);2-7,12-14H,8-11H2,1H3,(H,26,27)(H,28,29);2-9H,1H3,(H,19,20)(H,21,22)(H,23,24);1-2H3/b18-15-,19-6+;;;.
What are the key properties of ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole?
ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole has a molecular weight of 1193.49 g/mol, XLogP of 13.54, 10 rotatable bonds, 7 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[5-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridine;3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-pyrazin-2-yl-1H-indazole;3-(6-methyl-1H-pyrrolo[2,3-b]pyridin-2-yl)-5-(1H-pyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 145253966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).