(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide

C19H23N5O2 — CID 96575320

IUPAC(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide
SMILESCC[C@H](C(=O)NCc1cc2n(n1)CCNC2)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H23N5O2/c1-2-17(23-12-13-5-3-4-6-16(13)19(23)26)18(25)21-10-14-9-15-11-20-7-8-24(15)22-14/h3-6,9,17,20H,2,7-8,10-12H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyXSSIPTWOMKUOBZ-QGZVFWFLSA-N
MW353.43 g/mol
LogP1.04
Rot. Bonds5

About (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide

(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide (PubChem CID 96575320) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide.

Molecular Properties

Compound Name(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide
PubChem CID96575320
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide
SMILESCC[C@H](C(=O)NCc1cc2n(n1)CCNC2)N1Cc2ccccc2C1=O
InChIInChI=1S/C19H23N5O2/c1-2-17(23-12-13-5-3-4-6-16(13)19(23)26)18(25)21-10-14-9-15-11-20-7-8-24(15)22-14/h3-6,9,17,20H,2,7-8,10-12H2,1H3,(H,21,25)/t17-/m1/s1
InChIKeyXSSIPTWOMKUOBZ-QGZVFWFLSA-N
XLogP1.04
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide?
The IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide (CID 96575320) is (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide.
What is the SMILES notation for (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide?
The canonical SMILES for (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide is CC[C@H](C(=O)NCc1cc2n(n1)CCNC2)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide?
The InChIKey is XSSIPTWOMKUOBZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-2-17(23-12-13-5-3-4-6-16(13)19(23)26)18(25)21-10-14-9-15-11-20-7-8-24(15)22-14/h3-6,9,17,20H,2,7-8,10-12H2,1H3,(H,21,25)/t17-/m1/s1.
What are the key properties of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide?
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide has a molecular weight of 353.43 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)butanamide is sourced from PubChem (CID 96575320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).