5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

C80H84F2N22O4 — CID 158478552

About 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 158478552) has the molecular formula C80H84F2N22O4 and a molecular weight of 1455.70 g/mol. Its IUPAC name is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 158478552
• Molecular Formula: C80H84F2N22O4
• Molecular Weight: 1455.70 g/mol
• Exact Mass: 1454.70
• IUPAC Name: 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: CN1CCN(c2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(N6CCCC6)nc5)c4c3)c2)CC1.O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12
• InChI: InChI=1S/C27H27F2N7O.C27H30N8O.C26H27N7O2/c28-27(29)7-10-35(17-27)16-18-11-20(14-30-13-18)19-3-5-23-22(12-19)25(34-33-23)26(37)32-21-4-6-24(31-15-21)36-8-1-2-9-36;1-33-10-12-34(13-11-33)22-14-20(16-28-18-22)19-4-6-24-23(15-19)26(32-31-24)27(36)30-21-5-7-25(29-17-21)35-8-2-3-9-35;34-26(29-20-4-6-24(28-16-20)33-7-1-2-8-33)25-22-14-18(3-5-23(22)30-31-25)19-13-21(17-27-15-19)32-9-11-35-12-10-32/h3-6,11-15H,1-2,7-10,16-17H2,(H,32,37)(H,33,34);4-7,14-18H,2-3,8-13H2,1H3,(H,30,36)(H,31,32);3-6,13-17H,1-2,7-12H2,(H,29,34)(H,30,31)
• InChIKey: HHFWAYCKGFQYSF-UHFFFAOYSA-N
• XLogP: 12.05
• TPSA: 282.59 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1455.70
LogP ≤ 5	12.05
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide (CID 158478552) is 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is CN1CCN(c2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(N6CCCC6)nc5)c4c3)c2)CC1.O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)C4)c3)cc12.O=C(Nc1ccc(N2CCCC2)nc1)c1n[nH]c2ccc(-c3cncc(N4CCOCC4)c3)cc12.

What is the InChIKey of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

The InChIKey is HHFWAYCKGFQYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N7O.C27H30N8O.C26H27N7O2/c28-27(29)7-10-35(17-27)16-18-11-20(14-30-13-18)19-3-5-23-22(12-19)25(34-33-23)26(37)32-21-4-6-24(31-15-21)36-8-1-2-9-36;1-33-10-12-34(13-11-33)22-14-20(16-28-18-22)19-4-6-24-23(15-19)26(32-31-24)27(36)30-21-5-7-25(29-17-21)35-8-2-3-9-35;34-26(29-20-4-6-24(28-16-20)33-7-1-2-8-33)25-22-14-18(3-5-23(22)30-31-25)19-13-21(17-27-15-19)32-9-11-35-12-10-32/h3-6,11-15H,1-2,7-10,16-17H2,(H,32,37)(H,33,34);4-7,14-18H,2-3,8-13H2,1H3,(H,30,36)(H,31,32);3-6,13-17H,1-2,7-12H2,(H,29,34)(H,30,31).

What are the key properties of 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide?

5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 1455.70 g/mol, XLogP of 12.05, 16 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;5-(5-morpholin-4-yl-3-pyridinyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 158478552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).