ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate

C22H22F2N2O2 — CID 14461245

IUPACethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate
SMILESCCOC(=O)C1C(C(C)C)=NN=C(c2ccc(F)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C22H22F2N2O2/c1-4-28-22(27)19-18(14-5-9-16(23)10-6-14)21(26-25-20(19)13(2)3)15-7-11-17(24)12-8-15/h5-13,18-19H,4H2,1-3H3
InChIKeySNPIPRZXBKKBAP-UHFFFAOYSA-N
MW384.43 g/mol
LogP4.74
Rot. Bonds5

About ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate

ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate (PubChem CID 14461245) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate
PubChem CID14461245
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Nameethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate
SMILESCCOC(=O)C1C(C(C)C)=NN=C(c2ccc(F)cc2)C1c1ccc(F)cc1
InChIInChI=1S/C22H22F2N2O2/c1-4-28-22(27)19-18(14-5-9-16(23)10-6-14)21(26-25-20(19)13(2)3)15-7-11-17(24)12-8-15/h5-13,18-19H,4H2,1-3H3
InChIKeySNPIPRZXBKKBAP-UHFFFAOYSA-N
XLogP4.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Ethyl 2-cyano-3-(4-fluorophenyl)-3-iminopropanoate
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ethyl (2S)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-5-(2-fluorophenyl)-3,4-dihydropyrrole-2-carboxylate
CID 162417433
ethyl (2S)-2-[(E,1S)-1,3-diphenylprop-2-enyl]-5-(3-fluorophenyl)-3,4-dihydropyrrole-2-carboxylate
CID 162417434
ethyl (2S)-2-[(E,1R)-1,3-diphenylprop-2-enyl]-5-(2-fluorophenyl)-3,4-dihydropyrrole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate?
The IUPAC name of ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate (CID 14461245) is ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate.
What is the SMILES notation for ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate?
The canonical SMILES for ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate is CCOC(=O)C1C(C(C)C)=NN=C(c2ccc(F)cc2)C1c1ccc(F)cc1.
What is the InChIKey of ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate?
The InChIKey is SNPIPRZXBKKBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c1-4-28-22(27)19-18(14-5-9-16(23)10-6-14)21(26-25-20(19)13(2)3)15-7-11-17(24)12-8-15/h5-13,18-19H,4H2,1-3H3.
What are the key properties of ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate?
ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate has a molecular weight of 384.43 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6-bis(4-fluorophenyl)-3-propan-2-yl-4,5-dihydropyridazine-4-carboxylate is sourced from PubChem (CID 14461245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).