N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide

C38H38F5N9O3 — CID 176641193

About N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide

N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide (PubChem CID 176641193) has the molecular formula C38H38F5N9O3 and a molecular weight of 763.77 g/mol. Its IUPAC name is N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
• PubChem CID: 176641193
• Molecular Formula: C38H38F5N9O3
• Molecular Weight: 763.77 g/mol
• Exact Mass: 763.30
• IUPAC Name: N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
• SMILES: Cc1nn(C2CCC(=O)NC2=O)c2cccc([C@H]3CCN(CC4CCC(n5cc6cc(NC(=O)c7cncc(C(F)(F)F)n7)ccc6n5)CC4)CC3(F)F)c12
• InChI: InChI=1S/C38H38F5N9O3/c1-21-34-26(3-2-4-30(34)52(48-21)31-11-12-33(53)47-36(31)55)27-13-14-50(20-37(27,39)40)18-22-5-8-25(9-6-22)51-19-23-15-24(7-10-28(23)49-51)45-35(54)29-16-44-17-32(46-29)38(41,42)43/h2-4,7,10,15-17,19,22,25,27,31H,5-6,8-9,11-14,18,20H2,1H3,(H,45,54)(H,47,53,55)/t22?,25?,27-,31?/m1/s1
• InChIKey: NHKKFEQGZYSVSU-DBINOFBMSA-N
• XLogP: 6.59
• TPSA: 139.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	763.77
LogP ≤ 5	6.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

The IUPAC name of N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide (CID 176641193) is N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide is Cc1nn(C2CCC(=O)NC2=O)c2cccc([C@H]3CCN(CC4CCC(n5cc6cc(NC(=O)c7cncc(C(F)(F)F)n7)ccc6n5)CC4)CC3(F)F)c12.

What is the InChIKey of N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

The InChIKey is NHKKFEQGZYSVSU-DBINOFBMSA-N. The full InChI is InChI=1S/C38H38F5N9O3/c1-21-34-26(3-2-4-30(34)52(48-21)31-11-12-33(53)47-36(31)55)27-13-14-50(20-37(27,39)40)18-22-5-8-25(9-6-22)51-19-23-15-24(7-10-28(23)49-51)45-35(54)29-16-44-17-32(46-29)38(41,42)43/h2-4,7,10,15-17,19,22,25,27,31H,5-6,8-9,11-14,18,20H2,1H3,(H,45,54)(H,47,53,55)/t22?,25?,27-,31?/m1/s1.

What are the key properties of N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide?

N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide has a molecular weight of 763.77 g/mol, XLogP of 6.59, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[(4R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methylindazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 176641193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).