5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane

C31H41N7O2 — CID 144555152

About 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane

5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane (PubChem CID 144555152) has the molecular formula C31H41N7O2 and a molecular weight of 543.72 g/mol. Its IUPAC name is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane.

Molecular Properties

• Compound Name: 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane
• PubChem CID: 144555152
• Molecular Formula: C31H41N7O2
• Molecular Weight: 543.72 g/mol
• Exact Mass: 543.33
• IUPAC Name: 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane
• SMILES: C=C(/C=C\C(=C/C)NC(=O)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12)N(C)CCN(C)C.CC
• InChI: InChI=1S/C29H35N7O2.C2H6/c1-6-23(11-7-19(2)36(5)14-13-35(3)4)31-29(38)27-25-16-21(10-12-26(25)33-34-27)22-15-24(18-30-17-22)32-28(37)20-8-9-20;1-2/h6-7,10-12,15-18,20H,2,8-9,13-14H2,1,3-5H3,(H,31,38)(H,32,37)(H,33,34);1-2H3/b11-7-,23-6+
• InChIKey: ZIUAJCZKCAABSC-ZTQAEBTQSA-N
• XLogP: 5.20
• TPSA: 106.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.72
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane?

The IUPAC name of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane (CID 144555152) is 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane.

What is the SMILES notation for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane?

The canonical SMILES for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane is C=C(/C=C\C(=C/C)NC(=O)c1n[nH]c2ccc(-c3cncc(NC(=O)C4CC4)c3)cc12)N(C)CCN(C)C.CC.

What is the InChIKey of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane?

The InChIKey is ZIUAJCZKCAABSC-ZTQAEBTQSA-N. The full InChI is InChI=1S/C29H35N7O2.C2H6/c1-6-23(11-7-19(2)36(5)14-13-35(3)4)31-29(38)27-25-16-21(10-12-26(25)33-34-27)22-15-24(18-30-17-22)32-28(37)20-8-9-20;1-2/h6-7,10-12,15-18,20H,2,8-9,13-14H2,1,3-5H3,(H,31,38)(H,32,37)(H,33,34);1-2H3/b11-7-,23-6+;.

What are the key properties of 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane?

5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane has a molecular weight of 543.72 g/mol, XLogP of 5.20, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(cyclopropanecarbonylamino)-3-pyridinyl]-N-[(2E,4Z)-6-[2-(dimethylamino)ethyl-methylamino]hepta-2,4,6-trien-3-yl]-1H-indazole-3-carboxamide;ethane is sourced from PubChem (CID 144555152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).