5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide

C32H26Cl2N4O5 — CID 171812570

IUPAC5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide
SMILESCc1nncc(Oc2cccc(C3CC3)c2)c1C(=O)NC(CON1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C32H26Cl2N4O5/c1-18-29(28(16-35-37-18)43-24-6-4-5-20(14-24)19-9-10-19)30(39)36-23(13-21-11-12-22(33)15-27(21)34)17-42-38-31(40)25-7-2-3-8-26(25)32(38)41/h2-8,11-12,14-16,19,23H,9-10,13,17H2,1H3,(H,36,39)
InChIKeyTUCBOGYZWLLZMF-UHFFFAOYSA-N
MW617.49 g/mol
LogP6.33
Rot. Bonds10

About 5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide

5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide (PubChem CID 171812570) has the molecular formula C32H26Cl2N4O5 and a molecular weight of 617.49 g/mol. Its IUPAC name is 5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide.

Molecular Properties

Compound Name5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide
PubChem CID171812570
Molecular FormulaC32H26Cl2N4O5
Molecular Weight617.49 g/mol
Exact Mass616.13
IUPAC Name5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide
SMILESCc1nncc(Oc2cccc(C3CC3)c2)c1C(=O)NC(CON1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C32H26Cl2N4O5/c1-18-29(28(16-35-37-18)43-24-6-4-5-20(14-24)19-9-10-19)30(39)36-23(13-21-11-12-22(33)15-27(21)34)17-42-38-31(40)25-7-2-3-8-26(25)32(38)41/h2-8,11-12,14-16,19,23H,9-10,13,17H2,1H3,(H,36,39)
InChIKeyTUCBOGYZWLLZMF-UHFFFAOYSA-N
XLogP6.33
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.49
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-3-(2-chloro-4-cyclopropylphenyl)propoxy]isoindole-1,3-dione
CID 162376735
5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylsulfonylpyrimidine-4-carboxamide
CID 175980310
2-[(2R)-2-amino-3-(2,4-dichlorophenyl)propoxy]isoindole-1,3-dione
CID 175878261
5-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]pyrazolo[1,5-b]pyridazine-4-carboxamide
CID 170633492
6-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 170019167
7-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 170019165
N-[(2R)-1-aminooxy-3-(2-chloro-4-methylphenyl)propan-2-yl]-3-(3-ethynylphenoxy)quinoline-4-carboxamide
CID 162385389
2-chloro-N-[2-(2-chlorophenyl)ethyl]-5-(3-cyclopropylphenoxy)pyridine-4-carboxamide
CID 171612271
2-[2-amino-3-(2-chloro-4-methylphenyl)propoxy]isoindole-1,3-dione
CID 162376731
1-[(2S)-1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]-3-(isoquinoline-6-carbonylamino)thiourea
CID 87727160
3-cyano-6-(3-cyclopropylphenoxy)-N-[2-(2,4-dichlorophenyl)-2-fluoroethyl]-2-methoxypyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 170633472
methyl 5-(3-cyclopropylphenoxy)-3-hydroxy-2-(2-methylprop-2-enyl)pyridine-4-carboxylate
CID 168896856

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide?
The IUPAC name of 5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide (CID 171812570) is 5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide.
What is the SMILES notation for 5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide?
The canonical SMILES for 5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide is Cc1nncc(Oc2cccc(C3CC3)c2)c1C(=O)NC(CON1C(=O)c2ccccc2C1=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide?
The InChIKey is TUCBOGYZWLLZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2N4O5/c1-18-29(28(16-35-37-18)43-24-6-4-5-20(14-24)19-9-10-19)30(39)36-23(13-21-11-12-22(33)15-27(21)34)17-42-38-31(40)25-7-2-3-8-26(25)32(38)41/h2-8,11-12,14-16,19,23H,9-10,13,17H2,1H3,(H,36,39).
What are the key properties of 5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide?
5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide has a molecular weight of 617.49 g/mol, XLogP of 6.33, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropylphenoxy)-N-[1-(2,4-dichlorophenyl)-3-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]-3-methylpyridazine-4-carboxamide is sourced from PubChem (CID 171812570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).