N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

C26H27N5O3 — CID 90555393

IUPACN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C26H27N5O3/c32-24(10-5-15-30-25(33)21-8-3-4-9-22(21)26(30)34)28-17-19-16-23(18-11-13-27-14-12-18)31(29-19)20-6-1-2-7-20/h3-4,8-9,11-14,16,20H,1-2,5-7,10,15,17H2,(H,28,32)
InChIKeyWFZATDSIISALFH-UHFFFAOYSA-N
MW457.53 g/mol
LogP3.75
Rot. Bonds8

About N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide

N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 90555393) has the molecular formula C26H27N5O3 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID90555393
Molecular FormulaC26H27N5O3
Molecular Weight457.53 g/mol
Exact Mass457.21
IUPAC NameN-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1
InChIInChI=1S/C26H27N5O3/c32-24(10-5-15-30-25(33)21-8-3-4-9-22(21)26(30)34)28-17-19-16-23(18-11-13-27-14-12-18)31(29-19)20-6-1-2-7-20/h3-4,8-9,11-14,16,20H,1-2,5-7,10,15,17H2,(H,28,32)
InChIKeyWFZATDSIISALFH-UHFFFAOYSA-N
XLogP3.75
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 90555393) is N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is WFZATDSIISALFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3/c32-24(10-5-15-30-25(33)21-8-3-4-9-22(21)26(30)34)28-17-19-16-23(18-11-13-27-14-12-18)31(29-19)20-6-1-2-7-20/h3-4,8-9,11-14,16,20H,1-2,5-7,10,15,17H2,(H,28,32).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 457.53 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 90555393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).