N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide

C38H36ClF2N7O7 — CID 134414082

IUPACN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide
SMILESN#Cc1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(CCOc5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3F)CC2)cc1Cl
InChIInChI=1S/C38H36ClF2N7O7/c39-28-15-24(4-1-21(28)19-42)55-23-5-2-22(3-6-23)44-35(50)27-20-43-33(18-29(27)40)47-11-9-46(10-12-47)13-14-54-32-17-26-25(16-30(32)41)37(52)48(38(26)53)31-7-8-34(49)45-36(31)51/h1,4,15-18,20,22-23,31H,2-3,5-14H2,(H,44,50)(H,45,49,51)
InChIKeySUDCLAREGZPTAI-UHFFFAOYSA-N
MW776.20 g/mol
LogP3.61
Rot. Bonds10

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide (PubChem CID 134414082) has the molecular formula C38H36ClF2N7O7 and a molecular weight of 776.20 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide
PubChem CID134414082
Molecular FormulaC38H36ClF2N7O7
Molecular Weight776.20 g/mol
Exact Mass775.23
IUPAC NameN-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide
SMILESN#Cc1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(CCOc5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3F)CC2)cc1Cl
InChIInChI=1S/C38H36ClF2N7O7/c39-28-15-24(4-1-21(28)19-42)55-23-5-2-22(3-6-23)44-35(50)27-20-43-33(18-29(27)40)47-11-9-46(10-12-47)13-14-54-32-17-26-25(16-30(32)41)37(52)48(38(26)53)31-7-8-34(49)45-36(31)51/h1,4,15-18,20,22-23,31H,2-3,5-14H2,(H,44,50)(H,45,49,51)
InChIKeySUDCLAREGZPTAI-UHFFFAOYSA-N
XLogP3.61
TPSA174.27 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.20
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide (CID 134414082) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3cnc(N4CCN(CCOc5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cc3F)CC2)cc1Cl.
What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide?
The InChIKey is SUDCLAREGZPTAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36ClF2N7O7/c39-28-15-24(4-1-21(28)19-42)55-23-5-2-22(3-6-23)44-35(50)27-20-43-33(18-29(27)40)47-11-9-46(10-12-47)13-14-54-32-17-26-25(16-30(32)41)37(52)48(38(26)53)31-7-8-34(49)45-36(31)51/h1,4,15-18,20,22-23,31H,2-3,5-14H2,(H,44,50)(H,45,49,51).
What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide?
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide has a molecular weight of 776.20 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-6-[4-[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]oxyethyl]piperazin-1-yl]-4-fluoropyridine-3-carboxamide is sourced from PubChem (CID 134414082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).