N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

C40H43F4N7O5 — CID 166472404

IUPACN-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCN(C(=O)CN4CCC(c5cc(F)c(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1
InChIInChI=1S/C40H43F4N7O5/c1-22(2)56-33-18-35-46-32(20-51(35)19-28(33)40(55)47-34-5-3-4-31(45-34)38(43)44)24-10-14-50(15-11-24)37(53)21-49-12-8-23(9-13-49)26-16-30(42)27(17-29(26)41)25-6-7-36(52)48-39(25)54/h3-5,16-20,22-25,38H,6-15,21H2,1-2H3,(H,45,47,55)(H,48,52,54)
InChIKeyCTTYNVBJHLFDHN-UHFFFAOYSA-N
MW777.82 g/mol
LogP6.09
Rot. Bonds10

About N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide

N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 166472404) has the molecular formula C40H43F4N7O5 and a molecular weight of 777.82 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID166472404
Molecular FormulaC40H43F4N7O5
Molecular Weight777.82 g/mol
Exact Mass777.33
IUPAC NameN-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
SMILESCC(C)Oc1cc2nc(C3CCN(C(=O)CN4CCC(c5cc(F)c(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1
InChIInChI=1S/C40H43F4N7O5/c1-22(2)56-33-18-35-46-32(20-51(35)19-28(33)40(55)47-34-5-3-4-31(45-34)38(43)44)24-10-14-50(15-11-24)37(53)21-49-12-8-23(9-13-49)26-16-30(42)27(17-29(26)41)25-6-7-36(52)48-39(25)54/h3-5,16-20,22-25,38H,6-15,21H2,1-2H3,(H,45,47,55)(H,48,52,54)
InChIKeyCTTYNVBJHLFDHN-UHFFFAOYSA-N
XLogP6.09
TPSA138.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500777.82
LogP ≤ 56.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide (CID 166472404) is N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is CC(C)Oc1cc2nc(C3CCN(C(=O)CN4CCC(c5cc(F)c(C6CCC(=O)NC6=O)cc5F)CC4)CC3)cn2cc1C(=O)Nc1cccc(C(F)F)n1.
What is the InChIKey of N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is CTTYNVBJHLFDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43F4N7O5/c1-22(2)56-33-18-35-46-32(20-51(35)19-28(33)40(55)47-34-5-3-4-31(45-34)38(43)44)24-10-14-50(15-11-24)37(53)21-49-12-8-23(9-13-49)26-16-30(42)27(17-29(26)41)25-6-7-36(52)48-39(25)54/h3-5,16-20,22-25,38H,6-15,21H2,1-2H3,(H,45,47,55)(H,48,52,54).
What are the key properties of N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide?
N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 777.82 g/mol, XLogP of 6.09, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-2-pyridinyl]-2-[1-[2-[4-[4-(2,6-dioxopiperidin-3-yl)-2,5-difluorophenyl]piperidin-1-yl]acetyl]piperidin-4-yl]-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 166472404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).