ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine

C65H77N13 — CID 145247569

About ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine

ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine (PubChem CID 145247569) has the molecular formula C65H77N13 and a molecular weight of 1040.42 g/mol. Its IUPAC name is ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

• Compound Name: ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine
• PubChem CID: 145247569
• Molecular Formula: C65H77N13
• Molecular Weight: 1040.42 g/mol
• Exact Mass: 1039.64
• IUPAC Name: ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine
• SMILES: C=C(/C=c1/c(-c2cc3c(N4CCCCC4)nccc3[nH]2)n[nH]/c1=C/C)c1cncc(CCc2ccccc2)c1.C=C/C(=C\C(=C/C)c1cc2c(-c3cc4c(N5CCCCC5)nccc4[nH]3)n[nH]c2cn1)CCCN(C)C.CC
• InChI: InChI=1S/C33H34N6.C30H37N7.C2H6/c1-3-29-27(18-23(2)26-19-25(21-34-22-26)13-12-24-10-6-4-7-11-24)32(38-37-29)31-20-28-30(36-31)14-15-35-33(28)39-16-8-5-9-17-39;1-5-21(11-10-14-36(3)4)17-22(6-2)26-18-23-28(20-32-26)34-35-29(23)27-19-24-25(33-27)12-13-31-30(24)37-15-8-7-9-16-37;1-2/h3-4,6-7,10-11,14-15,18-22,36-37H,2,5,8-9,12-13,16-17H2,1H3;5-6,12-13,17-20,33H,1,7-11,14-16H2,2-4H3,(H,34,35);1-2H3/b27-18+,29-3+;21-17+,22-6+
• InChIKey: TZXMKNUSXWMAEM-LSSIVCDRSA-N
• XLogP: 12.79
• TPSA: 150.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1040.42
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine?

The IUPAC name of ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine (CID 145247569) is ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine.

What is the SMILES notation for ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine?

The canonical SMILES for ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine is C=C(/C=c1/c(-c2cc3c(N4CCCCC4)nccc3[nH]2)n[nH]/c1=C/C)c1cncc(CCc2ccccc2)c1.C=C/C(=C\C(=C/C)c1cc2c(-c3cc4c(N5CCCCC5)nccc4[nH]3)n[nH]c2cn1)CCCN(C)C.CC.

What is the InChIKey of ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine?

The InChIKey is TZXMKNUSXWMAEM-LSSIVCDRSA-N. The full InChI is InChI=1S/C33H34N6.C30H37N7.C2H6/c1-3-29-27(18-23(2)26-19-25(21-34-22-26)13-12-24-10-6-4-7-11-24)32(38-37-29)31-20-28-30(36-31)14-15-35-33(28)39-16-8-5-9-17-39;1-5-21(11-10-14-36(3)4)17-22(6-2)26-18-23-28(20-32-26)34-35-29(23)27-19-24-25(33-27)12-13-31-30(24)37-15-8-7-9-16-37;1-2/h3-4,6-7,10-11,14-15,18-22,36-37H,2,5,8-9,12-13,16-17H2,1H3;5-6,12-13,17-20,33H,1,7-11,14-16H2,2-4H3,(H,34,35);1-2H3/b27-18+,29-3+;21-17+,22-6+;.

What are the key properties of ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine?

ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 1040.42 g/mol, XLogP of 12.79, 16 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;(4Z,6E)-4-ethenyl-N,N-dimethyl-6-[3-(4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]octa-4,6-dien-1-amine;2-[(4E,5E)-5-ethylidene-4-[2-[5-(2-phenylethyl)-3-pyridinyl]prop-2-enylidene]-1H-pyrazol-3-yl]-4-piperidin-1-yl-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 145247569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).