6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide

C24H23FN4O3 — CID 19399871

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C24H23FN4O3/c25-21-11-6-3-8-17(21)15-28-16-18(14-26-28)27-22(30)12-2-1-7-13-29-23(31)19-9-4-5-10-20(19)24(29)32/h3-6,8-11,14,16H,1-2,7,12-13,15H2,(H,27,30)
InChIKeyKXQDQAZIYLBOKU-UHFFFAOYSA-N
MW434.47 g/mol
LogP3.87
Rot. Bonds9

About 6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide

6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide (PubChem CID 19399871) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide
PubChem CID19399871
Molecular FormulaC24H23FN4O3
Molecular Weight434.47 g/mol
Exact Mass434.18
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cnn(Cc2ccccc2F)c1
InChIInChI=1S/C24H23FN4O3/c25-21-11-6-3-8-17(21)15-28-16-18(14-26-28)27-22(30)12-2-1-7-13-29-23(31)19-9-4-5-10-20(19)24(29)32/h3-6,8-11,14,16H,1-2,7,12-13,15H2,(H,27,30)
InChIKeyKXQDQAZIYLBOKU-UHFFFAOYSA-N
XLogP3.87
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
1-[2-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19502809
6-(1,3-dioxoisoindol-2-yl)-N-(3-fluorophenyl)hexanamide
CID 5023404
4-(1,3-dioxoisoindol-2-yl)-N-[1-(oxan-4-ylmethyl)pyrazol-4-yl]butanamide
CID 90622248
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methyl-4-nitropyrazol-1-yl)propanamide
CID 19539828
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-6-(1,3-dioxoisoindol-2-yl)hexanamide
CID 19396588
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-2-yl)acetamide
CID 75768951
1-[3-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]amino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19483009
3-(1,3-dioxoisoindol-2-yl)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 8636592
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-5-(1H-inden-2-yl)-4-oxocyclohexa-1,5-diene-1-carboxamide
CID 58117251

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide (CID 19399871) is 6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cnn(Cc2ccccc2F)c1.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide?
The InChIKey is KXQDQAZIYLBOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O3/c25-21-11-6-3-8-17(21)15-28-16-18(14-26-28)27-22(30)12-2-1-7-13-29-23(31)19-9-4-5-10-20(19)24(29)32/h3-6,8-11,14,16H,1-2,7,12-13,15H2,(H,27,30).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide has a molecular weight of 434.47 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]hexanamide is sourced from PubChem (CID 19399871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).