N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

About N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 169121057) has the molecular formula C39H41F3N8O5 and a molecular weight of 758.80 g/mol. Its IUPAC name is N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name	N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID	169121057
Molecular Formula	C39H41F3N8O5
Molecular Weight	758.80 g/mol
Exact Mass	758.32
IUPAC Name	N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILES	Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C3CCN(CC4(O)CCC(n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)ccc6n5)CC4)CC3)c21
InChI	InChI=1S/C39H41F3N8O5/c1-47-34-27(4-2-6-30(34)50(37(47)54)31-10-11-33(51)45-36(31)53)23-14-18-48(19-15-23)22-38(55)16-12-26(13-17-38)49-21-24-20-25(8-9-28(24)46-49)43-35(52)29-5-3-7-32(44-29)39(40,41)42/h2-9,20-21,23,26,31,55H,10-19,22H2,1H3,(H,43,52)(H,45,51,53)
InChIKey	LWRDMARXDWTVMT-UHFFFAOYSA-N
XLogP	5.06
TPSA	156.38 Å²
H-Bond Donors	3
H-Bond Acceptors	11
Rotatable Bonds	7
Heavy Atoms	55
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	758.80
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 169121057) is N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C3CCN(CC4(O)CCC(n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)ccc6n5)CC4)CC3)c21.

What is the InChIKey of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is LWRDMARXDWTVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H41F3N8O5/c1-47-34-27(4-2-6-30(34)50(37(47)54)31-10-11-33(51)45-36(31)53)23-14-18-48(19-15-23)22-38(55)16-12-26(13-17-38)49-21-24-20-25(8-9-28(24)46-49)43-35(52)29-5-3-7-32(44-29)39(40,41)42/h2-9,20-21,23,26,31,55H,10-19,22H2,1H3,(H,43,52)(H,45,51,53).

What are the key properties of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 758.80 g/mol, XLogP of 5.06, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 169121057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).