N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide

C33H32FN5O2 — CID 156906922

IUPACN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cn3ccccc3n2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C33H32FN5O2/c1-33(2,3)25-12-14-27(15-13-25)39(32(41)28-22-38-19-5-4-11-29(38)37-28)30(24-9-7-17-35-21-24)31(40)36-18-16-23-8-6-10-26(34)20-23/h4-15,17,19-22,30H,16,18H2,1-3H3,(H,36,40)
InChIKeyXRDWVUPYWPTTRA-UHFFFAOYSA-N
MW549.65 g/mol
LogP5.91
Rot. Bonds8

About N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide

N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 156906922) has the molecular formula C33H32FN5O2 and a molecular weight of 549.65 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID156906922
Molecular FormulaC33H32FN5O2
Molecular Weight549.65 g/mol
Exact Mass549.25
IUPAC NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2cn3ccccc3n2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
InChIInChI=1S/C33H32FN5O2/c1-33(2,3)25-12-14-27(15-13-25)39(32(41)28-22-38-19-5-4-11-29(38)37-28)30(24-9-7-17-35-21-24)31(40)36-18-16-23-8-6-10-26(34)20-23/h4-15,17,19-22,30H,16,18H2,1-3H3,(H,36,40)
InChIKeyXRDWVUPYWPTTRA-UHFFFAOYSA-N
XLogP5.91
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.65
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 156906922) is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2cn3ccccc3n2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is XRDWVUPYWPTTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN5O2/c1-33(2,3)25-12-14-27(15-13-25)39(32(41)28-22-38-19-5-4-11-29(38)37-28)30(24-9-7-17-35-21-24)31(40)36-18-16-23-8-6-10-26(34)20-23/h4-15,17,19-22,30H,16,18H2,1-3H3,(H,36,40).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide?
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 549.65 g/mol, XLogP of 5.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 156906922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).