(2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide

C20H17N5O3 — CID 95380556

IUPAC(2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1ccn(-c3ccncc3)n1)C2=O
InChIInChI=1S/C20H17N5O3/c1-12-3-4-15-16(11-12)20(28)25(19(15)27)13(2)18(26)22-17-7-10-24(23-17)14-5-8-21-9-6-14/h3-11,13H,1-2H3,(H,22,23,26)/t13-/m1/s1
InChIKeyYWRNPJRTKDFIAM-CYBMUJFWSA-N
MW375.39 g/mol
LogP2.20
Rot. Bonds4

About (2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide

(2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide (PubChem CID 95380556) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is (2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide
PubChem CID95380556
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name(2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1ccn(-c3ccncc3)n1)C2=O
InChIInChI=1S/C20H17N5O3/c1-12-3-4-15-16(11-12)20(28)25(19(15)27)13(2)18(26)22-17-7-10-24(23-17)14-5-8-21-9-6-14/h3-11,13H,1-2H3,(H,22,23,26)/t13-/m1/s1
InChIKeyYWRNPJRTKDFIAM-CYBMUJFWSA-N
XLogP2.20
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.20
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 (2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide (CID 95380556) is (2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide is Cc1ccc2c(c1)C(=O)N([C@H](C)C(=O)Nc1ccn(-c3ccncc3)n1)C2=O.
What is the InChIKey of (2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide?
The InChIKey is YWRNPJRTKDFIAM-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-12-3-4-15-16(11-12)20(28)25(19(15)27)13(2)18(26)22-17-7-10-24(23-17)14-5-8-21-9-6-14/h3-11,13H,1-2H3,(H,22,23,26)/t13-/m1/s1.
What are the key properties of (2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide?
(2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide has a molecular weight of 375.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(1-pyridin-4-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 95380556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).