2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone

C111H133BBrF3N18O9 — CID 159160054

About 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone

2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone (PubChem CID 159160054) has the molecular formula C111H133BBrF3N18O9 and a molecular weight of 2011.11 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone
• PubChem CID: 159160054
• Molecular Formula: C111H133BBrF3N18O9
• Molecular Weight: 2011.11 g/mol
• Exact Mass: 2008.97
• IUPAC Name: 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone
• SMILES: CC1(C)OB(c2ccc(CC3CCN(C(=O)C(F)(F)F)CC3)cc2)OC1(C)C.CN1CCC(Cc2ccc(-c3ccc(CO[C@H]4CCC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3ccc(-c4ccc(CC5CCNCC5)cc4)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3ccc(Br)cc3)c2)cn1
• InChI: InChI=1S/C35H42N6O2.C34H40N6O2.C22H24BrN5O2.C20H27BF3NO3/c1-40-16-14-25(15-17-40)18-24-6-10-27(11-7-24)28-12-8-26(9-13-28)23-43-33-5-3-4-32(33)39-35(42)31-19-29(20-37-34(31)36)30-21-38-41(2)22-30;1-40-21-29(20-38-40)28-18-30(33(35)37-19-28)34(41)39-31-3-2-4-32(31)42-22-25-7-11-27(12-8-25)26-9-5-23(6-10-26)17-24-13-15-36-16-14-24;1-28-12-16(11-26-28)15-9-18(21(24)25-10-15)22(29)27-19-3-2-4-20(19)30-13-14-5-7-17(23)8-6-14;1-18(2)19(3,4)28-21(27-18)16-7-5-14(6-8-16)13-15-9-11-25(12-10-15)17(26)20(22,23)24/h6-13,19-22,25,32-33H,3-5,14-18,23H2,1-2H3,(H2,36,37)(H,39,42);5-12,18-21,24,31-32,36H,2-4,13-17,22H2,1H3,(H2,35,37)(H,39,41);5-12,19-20H,2-4,13H2,1H3,(H2,24,25)(H,27,29);5-8,15H,9-13H2,1-4H3/t32-,33-;31-,32-;19-,20-;/m000./s1
• InChIKey: KKJJCGXHXCKHPJ-IWULVNCASA-N
• XLogP: 17.65
• TPSA: 339.22 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 27
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2011.11
LogP ≤ 5	17.65
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone?

The IUPAC name of 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone (CID 159160054) is 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone.

What is the SMILES notation for 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone?

The canonical SMILES for 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone is CC1(C)OB(c2ccc(CC3CCN(C(=O)C(F)(F)F)CC3)cc2)OC1(C)C.CN1CCC(Cc2ccc(-c3ccc(CO[C@H]4CCC[C@@H]4NC(=O)c4cc(-c5cnn(C)c5)cnc4N)cc3)cc2)CC1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3ccc(-c4ccc(CC5CCNCC5)cc4)cc3)c2)cn1.Cn1cc(-c2cnc(N)c(C(=O)N[C@H]3CCC[C@@H]3OCc3ccc(Br)cc3)c2)cn1.

What is the InChIKey of 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone?

The InChIKey is KKJJCGXHXCKHPJ-IWULVNCASA-N. The full InChI is InChI=1S/C35H42N6O2.C34H40N6O2.C22H24BrN5O2.C20H27BF3NO3/c1-40-16-14-25(15-17-40)18-24-6-10-27(11-7-24)28-12-8-26(9-13-28)23-43-33-5-3-4-32(33)39-35(42)31-19-29(20-37-34(31)36)30-21-38-41(2)22-30;1-40-21-29(20-38-40)28-18-30(33(35)37-19-28)34(41)39-31-3-2-4-32(31)42-22-25-7-11-27(12-8-25)26-9-5-23(6-10-26)17-24-13-15-36-16-14-24;1-28-12-16(11-26-28)15-9-18(21(24)25-10-15)22(29)27-19-3-2-4-20(19)30-13-14-5-7-17(23)8-6-14;1-18(2)19(3,4)28-21(27-18)16-7-5-14(6-8-16)13-15-9-11-25(12-10-15)17(26)20(22,23)24/h6-13,19-22,25,32-33H,3-5,14-18,23H2,1-2H3,(H2,36,37)(H,39,42);5-12,18-21,24,31-32,36H,2-4,13-17,22H2,1H3,(H2,35,37)(H,39,41);5-12,19-20H,2-4,13H2,1H3,(H2,24,25)(H,27,29);5-8,15H,9-13H2,1-4H3/t32-,33-;31-,32-;19-,20-;/m000./s1.

What are the key properties of 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone?

2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone has a molecular weight of 2011.11 g/mol, XLogP of 17.65, 27 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1S,2S)-2-[(4-bromophenyl)methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-N-[(1S,2S)-2-[[4-[4-[(1-methylpiperidin-4-yl)methyl]phenyl]phenyl]methoxy]cyclopentyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide;2-amino-5-(1-methylpyrazol-4-yl)-N-[(1S,2S)-2-[[4-[4-(piperidin-4-ylmethyl)phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2,2,2-trifluoro-1-[4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 159160054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).