N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C20H15ClFN5O2 — CID 71554070

IUPACN-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(Nc2ccc(O)c(F)c2)nc2ncccn12)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN5O2/c1-26(14-6-3-12(21)4-7-14)19(29)17-18(25-20-23-9-2-10-27(17)20)24-13-5-8-16(28)15(22)11-13/h2-11,24,28H,1H3
InChIKeyVQDNTJWVIIUKQY-UHFFFAOYSA-N
MW411.82 g/mol
LogP4.25
Rot. Bonds4

About N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71554070) has the molecular formula C20H15ClFN5O2 and a molecular weight of 411.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71554070
Molecular FormulaC20H15ClFN5O2
Molecular Weight411.82 g/mol
Exact Mass411.09
IUPAC NameN-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(Nc2ccc(O)c(F)c2)nc2ncccn12)c1ccc(Cl)cc1
InChIInChI=1S/C20H15ClFN5O2/c1-26(14-6-3-12(21)4-7-14)19(29)17-18(25-20-23-9-2-10-27(17)20)24-13-5-8-16(28)15(22)11-13/h2-11,24,28H,1H3
InChIKeyVQDNTJWVIIUKQY-UHFFFAOYSA-N
XLogP4.25
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71554070) is N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is CN(C(=O)c1c(Nc2ccc(O)c(F)c2)nc2ncccn12)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is VQDNTJWVIIUKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN5O2/c1-26(14-6-3-12(21)4-7-14)19(29)17-18(25-20-23-9-2-10-27(17)20)24-13-5-8-16(28)15(22)11-13/h2-11,24,28H,1H3.
What are the key properties of N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 411.82 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(3-fluoro-4-hydroxyanilino)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71554070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).