N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C39H43F3N8O5 — CID 166468151

IUPACN-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCN(CC(=O)N4CCN(c5ccc(C6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C39H43F3N8O5/c1-24(2)55-32-20-34-44-30(21-50(34)22-31(32)45-38(54)29-4-3-5-33(43-29)39(40,41)42)26-12-14-47(15-13-26)23-36(52)49-18-16-48(17-19-49)27-8-6-25(7-9-27)28-10-11-35(51)46-37(28)53/h3-9,20-22,24,26,28H,10-19,23H2,1-2H3,(H,45,54)(H,46,51,53)
InChIKeyRDPQVAXSHAEKIY-UHFFFAOYSA-N
MW760.82 g/mol
LogP4.84
Rot. Bonds9

About N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 166468151) has the molecular formula C39H43F3N8O5 and a molecular weight of 760.82 g/mol. Its IUPAC name is N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID166468151
Molecular FormulaC39H43F3N8O5
Molecular Weight760.82 g/mol
Exact Mass760.33
IUPAC NameN-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCN(CC(=O)N4CCN(c5ccc(C6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C39H43F3N8O5/c1-24(2)55-32-20-34-44-30(21-50(34)22-31(32)45-38(54)29-4-3-5-33(43-29)39(40,41)42)26-12-14-47(15-13-26)23-36(52)49-18-16-48(17-19-49)27-8-6-25(7-9-27)28-10-11-35(51)46-37(28)53/h3-9,20-22,24,26,28H,10-19,23H2,1-2H3,(H,45,54)(H,46,51,53)
InChIKeyRDPQVAXSHAEKIY-UHFFFAOYSA-N
XLogP4.84
TPSA141.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500760.82
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 166468151) is N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)Oc1cc2nc(C3CCN(CC(=O)N4CCN(c5ccc(C6CCC(=O)NC6=O)cc5)CC4)CC3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is RDPQVAXSHAEKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43F3N8O5/c1-24(2)55-32-20-34-44-30(21-50(34)22-31(32)45-38(54)29-4-3-5-33(43-29)39(40,41)42)26-12-14-47(15-13-26)23-36(52)49-18-16-48(17-19-49)27-8-6-25(7-9-27)28-10-11-35(51)46-37(28)53/h3-9,20-22,24,26,28H,10-19,23H2,1-2H3,(H,45,54)(H,46,51,53).
What are the key properties of N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 760.82 g/mol, XLogP of 4.84, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166468151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).