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

C77H84F4N20O11 — CID 158092715

About N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-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]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 158092715) has the molecular formula C77H84F4N20O11 and a molecular weight of 1541.64 g/mol. Its IUPAC name is N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-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]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
• PubChem CID: 158092715
• Molecular Formula: C77H84F4N20O11
• Molecular Weight: 1541.64 g/mol
• Exact Mass: 1540.66
• IUPAC Name: N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide
• SMILES: CN1CCN(Cc2ccc(C(F)(F)C(=O)Nc3cc(CCC4CC4)c(C#N)cn3)nc2C=O)C(=O)C1.COC1(C)CN(c2cc(NC(=O)C(F)(F)c3ccc(CN4CCN(C)CC4=O)c(C=O)n3)ncc2C#N)C1.COC1(C)CN(c2cc(NC(=O)C3(c4ccc(CN5CCN(C)CC5=O)c(C=O)n4)CC3)ncc2C#N)C1
• InChI: InChI=1S/C27H31N7O4.C25H27F2N7O4.C25H26F2N6O3/c1-26(38-3)16-34(17-26)21-10-23(29-12-19(21)11-28)31-25(37)27(6-7-27)22-5-4-18(20(15-35)30-22)13-33-9-8-32(2)14-24(33)36;1-24(38-3)14-34(15-24)19-8-21(29-10-17(19)9-28)31-23(37)25(26,27)20-5-4-16(18(13-35)30-20)11-33-7-6-32(2)12-22(33)36;1-32-8-9-33(23(35)14-32)13-18-6-7-21(30-20(18)15-34)25(26,27)24(36)31-22-10-17(5-4-16-2-3-16)19(11-28)12-29-22/h4-5,10,12,15H,6-9,13-14,16-17H2,1-3H3,(H,29,31,37);4-5,8,10,13H,6-7,11-12,14-15H2,1-3H3,(H,29,31,37);6-7,10,12,15-16H,2-5,8-9,13-14H2,1H3,(H,29,31,36)
• InChIKey: FOHLVDOZIWHWIA-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 382.81 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1541.64
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-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]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide (CID 158092715) is N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-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]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-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]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide is CN1CCN(Cc2ccc(C(F)(F)C(=O)Nc3cc(CCC4CC4)c(C#N)cn3)nc2C=O)C(=O)C1.COC1(C)CN(c2cc(NC(=O)C(F)(F)c3ccc(CN4CCN(C)CC4=O)c(C=O)n3)ncc2C#N)C1.COC1(C)CN(c2cc(NC(=O)C3(c4ccc(CN5CCN(C)CC5=O)c(C=O)n4)CC3)ncc2C#N)C1.

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

The InChIKey is FOHLVDOZIWHWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O4.C25H27F2N7O4.C25H26F2N6O3/c1-26(38-3)16-34(17-26)21-10-23(29-12-19(21)11-28)31-25(37)27(6-7-27)22-5-4-18(20(15-35)30-22)13-33-9-8-32(2)14-24(33)36;1-24(38-3)14-34(15-24)19-8-21(29-10-17(19)9-28)31-23(37)25(26,27)20-5-4-16(18(13-35)30-20)11-33-7-6-32(2)12-22(33)36;1-32-8-9-33(23(35)14-32)13-18-6-7-21(30-20(18)15-34)25(26,27)24(36)31-22-10-17(5-4-16-2-3-16)19(11-28)12-29-22/h4-5,10,12,15H,6-9,13-14,16-17H2,1-3H3,(H,29,31,37);4-5,8,10,13H,6-7,11-12,14-15H2,1-3H3,(H,29,31,37);6-7,10,12,15-16H,2-5,8-9,13-14H2,1H3,(H,29,31,36).

What are the key properties of N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-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]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 1541.64 g/mol, XLogP of 5.23, 25 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-cyclopropylethyl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-2,2-difluoro-2-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]acetamide;N-[5-cyano-4-(3-methoxy-3-methylazetidin-1-yl)-2-pyridinyl]-1-[6-formyl-5-[(4-methyl-2-oxopiperazin-1-yl)methyl]-2-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 158092715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).