3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide

C89H83F10N23O7 — CID 173249416

About 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide

3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide (PubChem CID 173249416) has the molecular formula C89H83F10N23O7 and a molecular weight of 1776.78 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide.

Molecular Properties

• Compound Name: 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide
• PubChem CID: 173249416
• Molecular Formula: C89H83F10N23O7
• Molecular Weight: 1776.78 g/mol
• Exact Mass: 1775.67
• IUPAC Name: 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide
• SMILES: CN(C)CCNc1cc(C(=O)Nc2ccc3[nH]ncc3c2)c(F)cc1F.CN(C)CCNc1cc(C(=O)Nc2ccc3cn[nH]c3c2)c(F)cc1F.NC(=O)c1c(F)c(N)c(F)c(CCc2ccccn2)c1-c1ccc2[nH]ncc2c1.O=C(Nc1ccc2[nH]ncc2c1)c1cc(NCCO)c(F)cc1F.O=C(Nc1ccc2cn[nH]c2c1)c1cc(NCCO)c(F)cc1F
• InChI: InChI=1S/C21H17F2N5O.2C18H19F2N5O.2C16H14F2N4O2/c22-18-14(6-5-13-3-1-2-8-26-13)16(17(21(25)29)19(23)20(18)24)11-4-7-15-12(9-11)10-27-28-15;1-25(2)6-5-21-17-8-13(14(19)9-15(17)20)18(26)23-12-3-4-16-11(7-12)10-22-24-16;1-25(2)6-5-21-17-8-13(14(19)9-15(17)20)18(26)23-12-4-3-11-10-22-24-16(11)7-12;17-12-7-13(18)15(19-3-4-23)6-11(12)16(24)21-10-1-2-14-9(5-10)8-20-22-14;17-12-7-13(18)15(19-3-4-23)6-11(12)16(24)21-10-2-1-9-8-20-22-14(9)5-10/h1-4,7-10H,5-6,24H2,(H2,25,29)(H,27,28);2*3-4,7-10,21H,5-6H2,1-2H3,(H,22,24)(H,23,26);2*1-2,5-8,19,23H,3-4H2,(H,20,22)(H,21,24)
• InChIKey: KPZLPTWJKMHODL-UHFFFAOYSA-N
• XLogP: 14.50
• TPSA: 436.86 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 20
• Rotatable Bonds: 27
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1776.78
LogP ≤ 5	14.50
H-Bond Donors ≤ 5	17
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide?

The IUPAC name of 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide (CID 173249416) is 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide.

What is the SMILES notation for 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide?

The canonical SMILES for 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide is CN(C)CCNc1cc(C(=O)Nc2ccc3[nH]ncc3c2)c(F)cc1F.CN(C)CCNc1cc(C(=O)Nc2ccc3cn[nH]c3c2)c(F)cc1F.NC(=O)c1c(F)c(N)c(F)c(CCc2ccccn2)c1-c1ccc2[nH]ncc2c1.O=C(Nc1ccc2[nH]ncc2c1)c1cc(NCCO)c(F)cc1F.O=C(Nc1ccc2cn[nH]c2c1)c1cc(NCCO)c(F)cc1F.

What is the InChIKey of 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide?

The InChIKey is KPZLPTWJKMHODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O.2C18H19F2N5O.2C16H14F2N4O2/c22-18-14(6-5-13-3-1-2-8-26-13)16(17(21(25)29)19(23)20(18)24)11-4-7-15-12(9-11)10-27-28-15;1-25(2)6-5-21-17-8-13(14(19)9-15(17)20)18(26)23-12-3-4-16-11(7-12)10-22-24-16;1-25(2)6-5-21-17-8-13(14(19)9-15(17)20)18(26)23-12-4-3-11-10-22-24-16(11)7-12;17-12-7-13(18)15(19-3-4-23)6-11(12)16(24)21-10-1-2-14-9(5-10)8-20-22-14;17-12-7-13(18)15(19-3-4-23)6-11(12)16(24)21-10-2-1-9-8-20-22-14(9)5-10/h1-4,7-10H,5-6,24H2,(H2,25,29)(H,27,28);2*3-4,7-10,21H,5-6H2,1-2H3,(H,22,24)(H,23,26);2*1-2,5-8,19,23H,3-4H2,(H,20,22)(H,21,24).

What are the key properties of 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide?

3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide has a molecular weight of 1776.78 g/mol, XLogP of 14.50, 27 rotatable bonds, 17 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2,4-difluoro-6-(1H-indazol-5-yl)-5-(2-pyridin-2-ylethyl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide;2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-6-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-5-yl)benzamide;5-[2-(dimethylamino)ethylamino]-2,4-difluoro-N-(1H-indazol-6-yl)benzamide is sourced from PubChem (CID 173249416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).