2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol

C72H91BrN14O6 — CID 157248937

About 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol

2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol (PubChem CID 157248937) has the molecular formula C72H91BrN14O6 and a molecular weight of 1328.52 g/mol. Its IUPAC name is 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol.

Molecular Properties

• Compound Name: 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol
• PubChem CID: 157248937
• Molecular Formula: C72H91BrN14O6
• Molecular Weight: 1328.52 g/mol
• Exact Mass: 1326.64
• IUPAC Name: 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol
• SMILES: C[C@H](c1ccc(-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(-c4cnn(C)c4)cnc3N)cc2)cc1)N1CCN(CCO)CC1.C[C@H](c1ccc(-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(-c4cnn(C)c4)cnc3N)cc2)cc1)N1CCNCC1.OCCBr
• InChI: InChI=1S/C36H45N7O3.C34H41N7O2.C2H5BrO/c1-25(43-16-14-42(15-17-43)18-19-44)27-10-12-29(13-11-27)28-8-6-26(7-9-28)24-46-34-5-3-4-33(34)40-36(45)32-20-30(21-38-35(32)37)31-22-39-41(2)23-31;1-23(41-16-14-36-15-17-41)25-10-12-27(13-11-25)26-8-6-24(7-9-26)22-43-32-5-3-4-31(32)39-34(42)30-18-28(19-37-33(30)35)29-20-38-40(2)21-29;3-1-2-4/h6-13,20-23,25,33-34,44H,3-5,14-19,24H2,1-2H3,(H2,37,38)(H,40,45);6-13,18-21,23,31-32,36H,3-5,14-17,22H2,1-2H3,(H2,35,37)(H,39,42);4H,1-2H2/t25-,33+,34+;23-,31+,32+;/m11./s1
• InChIKey: AWCOGQYRGLBLGT-PGGOTKNSSA-N
• XLogP: 9.21
• TPSA: 252.33 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1328.52
LogP ≤ 5	9.21
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol?

The IUPAC name of 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol (CID 157248937) is 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol.

What is the SMILES notation for 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol?

The canonical SMILES for 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol is C[C@H](c1ccc(-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(-c4cnn(C)c4)cnc3N)cc2)cc1)N1CCN(CCO)CC1.C[C@H](c1ccc(-c2ccc(CO[C@H]3CCC[C@@H]3NC(=O)c3cc(-c4cnn(C)c4)cnc3N)cc2)cc1)N1CCNCC1.OCCBr.

What is the InChIKey of 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol?

The InChIKey is AWCOGQYRGLBLGT-PGGOTKNSSA-N. The full InChI is InChI=1S/C36H45N7O3.C34H41N7O2.C2H5BrO/c1-25(43-16-14-42(15-17-43)18-19-44)27-10-12-29(13-11-27)28-8-6-26(7-9-28)24-46-34-5-3-4-33(34)40-36(45)32-20-30(21-38-35(32)37)31-22-39-41(2)23-31;1-23(41-16-14-36-15-17-41)25-10-12-27(13-11-25)26-8-6-24(7-9-26)22-43-32-5-3-4-31(32)39-34(42)30-18-28(19-37-33(30)35)29-20-38-40(2)21-29;3-1-2-4/h6-13,20-23,25,33-34,44H,3-5,14-19,24H2,1-2H3,(H2,37,38)(H,40,45);6-13,18-21,23,31-32,36H,3-5,14-17,22H2,1-2H3,(H2,35,37)(H,39,42);4H,1-2H2/t25-,33+,34+;23-,31+,32+;/m11./s1.

What are the key properties of 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol?

2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol has a molecular weight of 1328.52 g/mol, XLogP of 9.21, 21 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(1S,2S)-2-[[4-[4-[(1R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]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-[(1R)-1-piperazin-1-ylethyl]phenyl]phenyl]methoxy]cyclopentyl]pyridine-3-carboxamide;2-bromoethanol is sourced from PubChem (CID 157248937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).