ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

C76H65N19 — CID 145254052

IUPACethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESC=C/C=C(/c1ccccn1)c1cc(-c2n[nH]c3ccc(-c4cn[nH]c4)cc23)[nH]c1C.CC.CC.Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)ccnc5[nH]4)c3c2)c1.c1cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)cc23)ccn1
InChIInChI=1S/C25H18N6.C24H20N6.C23H15N7.2C2H6/c1-15-10-18(14-27-13-15)17-2-3-22-21(11-17)24(31-30-22)23-12-20-19(6-9-28-25(20)29-23)16-4-7-26-8-5-16;1-3-6-18(21-7-4-5-10-25-21)19-12-23(28-15(19)2)24-20-11-16(17-13-26-27-14-17)8-9-22(20)29-30-24;1-2-19-18(11-15(1)21-13-25-9-10-26-21)22(30-29-19)20-12-17-16(5-8-27-23(17)28-20)14-3-6-24-7-4-14;2*1-2/h2-14H,1H3,(H,28,29)(H,30,31);3-14,28H,1H2,2H3,(H,26,27)(H,29,30);1-13H,(H,27,28)(H,29,30);2*1-2H3/b;18-6+;;;
InChIKeyCCEPZDOQOYZOJH-LXJARKKISA-N
MW1244.49 g/mol
LogP17.49
Rot. Bonds11

About ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine

ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 145254052) has the molecular formula C76H65N19 and a molecular weight of 1244.49 g/mol. Its IUPAC name is ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Nameethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID145254052
Molecular FormulaC76H65N19
Molecular Weight1244.49 g/mol
Exact Mass1243.57
IUPAC Nameethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine
SMILESC=C/C=C(/c1ccccn1)c1cc(-c2n[nH]c3ccc(-c4cn[nH]c4)cc23)[nH]c1C.CC.CC.Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)ccnc5[nH]4)c3c2)c1.c1cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)cc23)ccn1
InChIInChI=1S/C25H18N6.C24H20N6.C23H15N7.2C2H6/c1-15-10-18(14-27-13-15)17-2-3-22-21(11-17)24(31-30-22)23-12-20-19(6-9-28-25(20)29-23)16-4-7-26-8-5-16;1-3-6-18(21-7-4-5-10-25-21)19-12-23(28-15(19)2)24-20-11-16(17-13-26-27-14-17)8-9-22(20)29-30-24;1-2-19-18(11-15(1)21-13-25-9-10-26-21)22(30-29-19)20-12-17-16(5-8-27-23(17)28-20)14-3-6-24-7-4-14;2*1-2/h2-14H,1H3,(H,28,29)(H,30,31);3-14,28H,1H2,2H3,(H,26,27)(H,29,30);1-13H,(H,27,28)(H,29,30);2*1-2H3/b;18-6+;;;
InChIKeyCCEPZDOQOYZOJH-LXJARKKISA-N
XLogP17.49
TPSA265.21 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001244.49
LogP ≤ 517.49
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine (CID 145254052) is ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is C=C/C=C(/c1ccccn1)c1cc(-c2n[nH]c3ccc(-c4cn[nH]c4)cc23)[nH]c1C.CC.CC.Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccncc6)ccnc5[nH]4)c3c2)c1.c1cc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cnccn6)cc45)cc23)ccn1.
What is the InChIKey of ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is CCEPZDOQOYZOJH-LXJARKKISA-N. The full InChI is InChI=1S/C25H18N6.C24H20N6.C23H15N7.2C2H6/c1-15-10-18(14-27-13-15)17-2-3-22-21(11-17)24(31-30-22)23-12-20-19(6-9-28-25(20)29-23)16-4-7-26-8-5-16;1-3-6-18(21-7-4-5-10-25-21)19-12-23(28-15(19)2)24-20-11-16(17-13-26-27-14-17)8-9-22(20)29-30-24;1-2-19-18(11-15(1)21-13-25-9-10-26-21)22(30-29-19)20-12-17-16(5-8-27-23(17)28-20)14-3-6-24-7-4-14;2*1-2/h2-14H,1H3,(H,28,29)(H,30,31);3-14,28H,1H2,2H3,(H,26,27)(H,29,30);1-13H,(H,27,28)(H,29,30);2*1-2H3/b;18-6+;;;.
What are the key properties of ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine?
ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1244.49 g/mol, XLogP of 17.49, 11 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[5-methyl-4-[(1E)-1-pyridin-2-ylbuta-1,3-dienyl]-1H-pyrrol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole;2-[5-(5-methyl-3-pyridinyl)-1H-indazol-3-yl]-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine;2-(5-pyrazin-2-yl-1H-indazol-3-yl)-4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 145254052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).