N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide

C32H31FN4O3 — CID 156906919

IUPACN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cnc3ccccn23)cc1
InChIInChI=1S/C32H31FN4O3/c1-32(2,3)23-12-14-25(15-13-23)37(31(39)27-10-7-19-40-27)29(26-21-35-28-11-4-5-18-36(26)28)30(38)34-17-16-22-8-6-9-24(33)20-22/h4-15,18-21,29H,16-17H2,1-3H3,(H,34,38)
InChIKeyJZSZCXIRJJBCSS-UHFFFAOYSA-N
MW538.62 g/mol
LogP6.11
Rot. Bonds8

About N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide

N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide (PubChem CID 156906919) has the molecular formula C32H31FN4O3 and a molecular weight of 538.62 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide
PubChem CID156906919
Molecular FormulaC32H31FN4O3
Molecular Weight538.62 g/mol
Exact Mass538.24
IUPAC NameN-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide
SMILESCC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cnc3ccccn23)cc1
InChIInChI=1S/C32H31FN4O3/c1-32(2,3)23-12-14-25(15-13-23)37(31(39)27-10-7-19-40-27)29(26-21-35-28-11-4-5-18-36(26)28)30(38)34-17-16-22-8-6-9-24(33)20-22/h4-15,18-21,29H,16-17H2,1-3H3,(H,34,38)
InChIKeyJZSZCXIRJJBCSS-UHFFFAOYSA-N
XLogP6.11
TPSA79.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.62
LogP ≤ 56.11
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]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide (CID 156906919) is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide is CC(C)(C)c1ccc(N(C(=O)c2ccco2)C(C(=O)NCCc2cccc(F)c2)c2cnc3ccccn23)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide?
The InChIKey is JZSZCXIRJJBCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31FN4O3/c1-32(2,3)23-12-14-25(15-13-23)37(31(39)27-10-7-19-40-27)29(26-21-35-28-11-4-5-18-36(26)28)30(38)34-17-16-22-8-6-9-24(33)20-22/h4-15,18-21,29H,16-17H2,1-3H3,(H,34,38).
What are the key properties of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide?
N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide has a molecular weight of 538.62 g/mol, XLogP of 6.11, 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]-1-imidazo[1,2-a]pyridin-3-yl-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 156906919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).