N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide

C77H86F2N18O11 — CID 162102035

About N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide

N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 162102035) has the molecular formula C77H86F2N18O11 and a molecular weight of 1477.65 g/mol. Its IUPAC name is N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 162102035
• Molecular Formula: C77H86F2N18O11
• Molecular Weight: 1477.65 g/mol
• Exact Mass: 1476.67
• IUPAC Name: N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: CN1CCN(Cc2ccc(C3(C(=O)Nc4cc(CCC5CC5)c(C#N)cn4)CC3)nc2C=O)C(=O)C1.COCCCc1cc(NC(=O)C(F)(F)c2ccc(CN3CCN(C)CC3=O)c(C=O)n2)ncc1C#N.COCCCc1cc(NC(=O)C2(c3ccc(CN4CCN(C)CC4=O)c(C=O)n3)CC2)ncc1C#N
• InChI: InChI=1S/C27H30N6O3.C26H30N6O4.C24H26F2N6O4/c1-32-10-11-33(25(35)16-32)15-20-6-7-23(30-22(20)17-34)27(8-9-27)26(36)31-24-12-19(5-4-18-2-3-18)21(13-28)14-29-24;1-31-9-10-32(24(34)16-31)15-19-5-6-22(29-21(19)17-33)26(7-8-26)25(35)30-23-12-18(4-3-11-36-2)20(13-27)14-28-23;1-31-7-8-32(22(34)14-31)13-17-5-6-20(29-19(17)15-33)24(25,26)23(35)30-21-10-16(4-3-9-36-2)18(11-27)12-28-21/h6-7,12,14,17-18H,2-5,8-11,15-16H2,1H3,(H,29,31,36);5-6,12,14,17H,3-4,7-11,15-16H2,1-2H3,(H,28,30,35);5-6,10,12,15H,3-4,7-9,13-14H2,1-2H3,(H,28,30,35)
• InChIKey: ZFABXEKGQDKJJS-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 376.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1477.65
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide (CID 162102035) is N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide is CN1CCN(Cc2ccc(C3(C(=O)Nc4cc(CCC5CC5)c(C#N)cn4)CC3)nc2C=O)C(=O)C1.COCCCc1cc(NC(=O)C(F)(F)c2ccc(CN3CCN(C)CC3=O)c(C=O)n2)ncc1C#N.COCCCc1cc(NC(=O)C2(c3ccc(CN4CCN(C)CC4=O)c(C=O)n3)CC2)ncc1C#N.

What is the InChIKey of N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide?

The InChIKey is ZFABXEKGQDKJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O3.C26H30N6O4.C24H26F2N6O4/c1-32-10-11-33(25(35)16-32)15-20-6-7-23(30-22(20)17-34)27(8-9-27)26(36)31-24-12-19(5-4-18-2-3-18)21(13-28)14-29-24;1-31-9-10-32(24(34)16-31)15-19-5-6-22(29-21(19)17-33)26(7-8-26)25(35)30-23-12-18(4-3-11-36-2)20(13-27)14-28-23;1-31-7-8-32(22(34)14-31)13-17-5-6-20(29-19(17)15-33)24(25,26)23(35)30-21-10-16(4-3-9-36-2)18(11-27)12-28-21/h6-7,12,14,17-18H,2-5,8-11,15-16H2,1H3,(H,29,31,36);5-6,12,14,17H,3-4,7-11,15-16H2,1-2H3,(H,28,30,35);5-6,10,12,15H,3-4,7-9,13-14H2,1-2H3,(H,28,30,35).

What are the key properties of N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide?

N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 1477.65 g/mol, XLogP of 5.88, 29 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162102035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).