N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide

C95H90F2N28O8S — CID 160832623

About N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide

N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 160832623) has the molecular formula C95H90F2N28O8S and a molecular weight of 1822.02 g/mol. Its IUPAC name is N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 160832623
• Molecular Formula: C95H90F2N28O8S
• Molecular Weight: 1822.02 g/mol
• Exact Mass: 1820.72
• IUPAC Name: N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: C=S(C)(=O)Nc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.Nc1ncc(NC(=O)c2c[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.Nc1ncc(NC(=O)c2c[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cn1.Nc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1
• InChI: InChI=1S/C25H25F2N7O2S.C24H25N7O2.C23H23N7O2.C23H17N7O2/c1-37(2,36)33-22-6-4-19(13-29-22)30-24(35)23-20-10-17(3-5-21(20)31-32-23)18-9-16(11-28-12-18)14-34-8-7-25(26,27)15-34;25-24-28-11-18(12-29-24)30-23(33)21-13-27-22-2-1-16(8-20(21)22)17-7-15(9-26-10-17)14-31-5-3-19(32)4-6-31;24-23-27-11-18(12-28-23)29-22(31)20-13-26-21-2-1-16(8-19(20)21)17-7-15(9-25-10-17)14-30-3-5-32-6-4-30;24-23-26-11-16(12-27-23)28-22(31)21-19-9-14(6-7-20(19)29-30-21)15-8-18(13-25-10-15)32-17-4-2-1-3-5-17/h3-6,9-13H,1,7-8,14-15H2,2H3,(H,30,35)(H,31,32)(H,29,33,36);1-2,7-13,19,27,32H,3-6,14H2,(H,30,33)(H2,25,28,29);1-2,7-13,26H,3-6,14H2,(H,29,31)(H2,24,27,28);1-13H,(H,28,31)(H,29,30)(H2,24,26,27)
• InChIKey: SGZOQVNIQDWXNP-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 502.70 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 22
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1822.02
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 160832623) is N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide is C=S(C)(=O)Nc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(F)(F)C5)c4)cc23)cn1.Nc1ncc(NC(=O)c2c[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.Nc1ncc(NC(=O)c2c[nH]c3ccc(-c4cncc(CN5CCOCC5)c4)cc23)cn1.Nc1ncc(NC(=O)c2n[nH]c3ccc(-c4cncc(Oc5ccccc5)c4)cc23)cn1.

What is the InChIKey of N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is SGZOQVNIQDWXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F2N7O2S.C24H25N7O2.C23H23N7O2.C23H17N7O2/c1-37(2,36)33-22-6-4-19(13-29-22)30-24(35)23-20-10-17(3-5-21(20)31-32-23)18-9-16(11-28-12-18)14-34-8-7-25(26,27)15-34;25-24-28-11-18(12-29-24)30-23(33)21-13-27-22-2-1-16(8-20(21)22)17-7-15(9-26-10-17)14-31-5-3-19(32)4-6-31;24-23-27-11-18(12-28-23)29-22(31)20-13-26-21-2-1-16(8-19(20)21)17-7-15(9-25-10-17)14-30-3-5-32-6-4-30;24-23-26-11-16(12-27-23)28-22(31)21-19-9-14(6-7-20(19)29-30-21)15-8-18(13-25-10-15)32-17-4-2-1-3-5-17/h3-6,9-13H,1,7-8,14-15H2,2H3,(H,30,35)(H,31,32)(H,29,33,36);1-2,7-13,19,27,32H,3-6,14H2,(H,30,33)(H2,25,28,29);1-2,7-13,26H,3-6,14H2,(H,29,31)(H2,24,27,28);1-13H,(H,28,31)(H,29,30)(H2,24,26,27).

What are the key properties of N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide?

N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 1822.02 g/mol, XLogP of 13.33, 22 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminopyrimidin-5-yl)-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indole-3-carboxamide;N-(2-aminopyrimidin-5-yl)-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 160832623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).