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

C39H43F3N8O5 — CID 166468147

IUPACN-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)Oc1cc2nc(C3CN(CCC(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)C3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C39H43F3N8O5/c1-23(2)55-32-18-34-45-30(21-50(34)22-31(32)46-37(53)28-4-3-5-33(44-28)39(40,41)42)26-19-48(20-26)15-14-36(52)49-16-12-25(13-17-49)24-6-8-27(9-7-24)43-29-10-11-35(51)47-38(29)54/h3-9,18,21-23,25-26,29,43H,10-17,19-20H2,1-2H3,(H,46,53)(H,47,51,54)
InChIKeyMZPBZUVNOOGYFD-UHFFFAOYSA-N
MW760.82 g/mol
LogP5.20
Rot. Bonds11

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

N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 166468147) has the molecular formula C39H43F3N8O5 and a molecular weight of 760.82 g/mol. Its IUPAC name is N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID166468147
Molecular FormulaC39H43F3N8O5
Molecular Weight760.82 g/mol
Exact Mass760.33
IUPAC NameN-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(C)Oc1cc2nc(C3CN(CCC(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)C3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1
InChIInChI=1S/C39H43F3N8O5/c1-23(2)55-32-18-34-45-30(21-50(34)22-31(32)46-37(53)28-4-3-5-33(44-28)39(40,41)42)26-19-48(20-26)15-14-36(52)49-16-12-25(13-17-49)24-6-8-27(9-7-24)43-29-10-11-35(51)47-38(29)54/h3-9,18,21-23,25-26,29,43H,10-17,19-20H2,1-2H3,(H,46,53)(H,47,51,54)
InChIKeyMZPBZUVNOOGYFD-UHFFFAOYSA-N
XLogP5.20
TPSA150.27 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.82
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 166468147) is N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-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-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(C)Oc1cc2nc(C3CN(CCC(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)C3)cn2cc1NC(=O)c1cccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is MZPBZUVNOOGYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H43F3N8O5/c1-23(2)55-32-18-34-45-30(21-50(34)22-31(32)46-37(53)28-4-3-5-33(44-28)39(40,41)42)26-19-48(20-26)15-14-36(52)49-16-12-25(13-17-49)24-6-8-27(9-7-24)43-29-10-11-35(51)47-38(29)54/h3-9,18,21-23,25-26,29,43H,10-17,19-20H2,1-2H3,(H,46,53)(H,47,51,54).
What are the key properties of N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-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 5.20, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-[4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]piperidin-1-yl]-3-oxopropyl]azetidin-3-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166468147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).