(Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one

C23H18FN3O2 — CID 162645136

IUPAC(Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one
SMILESCOc1ccc(-c2nc(C(=O)/C=C\Nc3ccc(F)cc3)c3ccccn23)cc1
InChIInChI=1S/C23H18FN3O2/c1-29-19-11-5-16(6-12-19)23-26-22(20-4-2-3-15-27(20)23)21(28)13-14-25-18-9-7-17(24)8-10-18/h2-15,25H,1H3/b14-13-
InChIKeyGSFFKWKINXLUEQ-YPKPFQOOSA-N
MW387.41 g/mol
LogP4.96
Rot. Bonds6

About (Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one

(Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one (PubChem CID 162645136) has the molecular formula C23H18FN3O2 and a molecular weight of 387.41 g/mol. Its IUPAC name is (Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one
PubChem CID162645136
Molecular FormulaC23H18FN3O2
Molecular Weight387.41 g/mol
Exact Mass387.14
IUPAC Name(Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one
SMILESCOc1ccc(-c2nc(C(=O)/C=C\Nc3ccc(F)cc3)c3ccccn23)cc1
InChIInChI=1S/C23H18FN3O2/c1-29-19-11-5-16(6-12-19)23-26-22(20-4-2-3-15-27(20)23)21(28)13-14-25-18-9-7-17(24)8-10-18/h2-15,25H,1H3/b14-13-
InChIKeyGSFFKWKINXLUEQ-YPKPFQOOSA-N
XLogP4.96
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one?
The IUPAC name of (Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one (CID 162645136) is (Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one.
What is the SMILES notation for (Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one?
The canonical SMILES for (Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one is COc1ccc(-c2nc(C(=O)/C=C\Nc3ccc(F)cc3)c3ccccn23)cc1.
What is the InChIKey of (Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one?
The InChIKey is GSFFKWKINXLUEQ-YPKPFQOOSA-N. The full InChI is InChI=1S/C23H18FN3O2/c1-29-19-11-5-16(6-12-19)23-26-22(20-4-2-3-15-27(20)23)21(28)13-14-25-18-9-7-17(24)8-10-18/h2-15,25H,1H3/b14-13-.
What are the key properties of (Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one?
(Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one has a molecular weight of 387.41 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-fluoroanilino)-1-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 162645136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).