2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide

C25H26N4O3 — CID 174283198

IUPAC2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
SMILESCCCC(C(=O)NC=O)N1Cc2cc(-c3nn(C)c(-c4ccccc4)c3C)ccc2C1=O
InChIInChI=1S/C25H26N4O3/c1-4-8-21(24(31)26-15-30)29-14-19-13-18(11-12-20(19)25(29)32)22-16(2)23(28(3)27-22)17-9-6-5-7-10-17/h5-7,9-13,15,21H,4,8,14H2,1-3H3,(H,26,30,31)
InChIKeyZYOXVMAWVLJLJL-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.46
Rot. Bonds7

About 2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide

2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide (PubChem CID 174283198) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide.

Molecular Properties

Compound Name2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
PubChem CID174283198
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
SMILESCCCC(C(=O)NC=O)N1Cc2cc(-c3nn(C)c(-c4ccccc4)c3C)ccc2C1=O
InChIInChI=1S/C25H26N4O3/c1-4-8-21(24(31)26-15-30)29-14-19-13-18(11-12-20(19)25(29)32)22-16(2)23(28(3)27-22)17-9-6-5-7-10-17/h5-7,9-13,15,21H,4,8,14H2,1-3H3,(H,26,30,31)
InChIKeyZYOXVMAWVLJLJL-UHFFFAOYSA-N
XLogP3.46
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-3-oxo-1H-isoindol-2-yl)-N-formylpentanamide
CID 166694732
2-[6-[5-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 174285976
(2S)-2-(3-oxo-1H-isoindol-2-yl)pentanoic acid
CID 54278547
2-[6-[[[4-[[[2-(2-fluoronaphthalen-1-yl)acetyl]amino]methyl]phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 167275859
N-(4-methylphenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 50757779
2-[6-[7-(cyclohexylamino)heptylsulfanyl]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 166921166
N-methyl-2-[6-(1-methyl-2-naphthalen-2-ylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 171075331
methyl 5-amino-5-oxo-4-(3-oxo-6-phenyl-1H-isoindol-2-yl)pentanoate
CID 170631434
2-[7-[2-(dipropylamino)-2-oxoethoxy]-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide
CID 171788986
(2R)-N-(4-fluorophenyl)-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92742007
tert-butyl 5-amino-4-[6-(4-bromo-1-methyl-5-phenylimidazol-2-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 177240672
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-oxo-1H-isoindol-2-yl)pentanamide
CID 92688946

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide?
The IUPAC name of 2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide (CID 174283198) is 2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide.
What is the SMILES notation for 2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide?
The canonical SMILES for 2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide is CCCC(C(=O)NC=O)N1Cc2cc(-c3nn(C)c(-c4ccccc4)c3C)ccc2C1=O.
What is the InChIKey of 2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide?
The InChIKey is ZYOXVMAWVLJLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-4-8-21(24(31)26-15-30)29-14-19-13-18(11-12-20(19)25(29)32)22-16(2)23(28(3)27-22)17-9-6-5-7-10-17/h5-7,9-13,15,21H,4,8,14H2,1-3H3,(H,26,30,31).
What are the key properties of 2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide?
2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide has a molecular weight of 430.51 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,4-dimethyl-5-phenylpyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-formylpentanamide is sourced from PubChem (CID 174283198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).