7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C20H15N5O3 — CID 144719786

IUPAC7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1cn(C2CCC(CN3C(=O)c4ccccc4C3=O)O2)c2ncncc12
InChIInChI=1S/C20H15N5O3/c21-7-12-9-24(18-16(12)8-22-11-23-18)17-6-5-13(28-17)10-25-19(26)14-3-1-2-4-15(14)20(25)27/h1-4,8-9,11,13,17H,5-6,10H2
InChIKeyYVMDASPWRUMOSZ-UHFFFAOYSA-N
MW373.37 g/mol
LogP2.28
Rot. Bonds3

About 7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 144719786) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is 7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID144719786
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1cn(C2CCC(CN3C(=O)c4ccccc4C3=O)O2)c2ncncc12
InChIInChI=1S/C20H15N5O3/c21-7-12-9-24(18-16(12)8-22-11-23-18)17-6-5-13(28-17)10-25-19(26)14-3-1-2-4-15(14)20(25)27/h1-4,8-9,11,13,17H,5-6,10H2
InChIKeyYVMDASPWRUMOSZ-UHFFFAOYSA-N
XLogP2.28
TPSA101.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 144719786) is 7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1cn(C2CCC(CN3C(=O)c4ccccc4C3=O)O2)c2ncncc12.
What is the InChIKey of 7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is YVMDASPWRUMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c21-7-12-9-24(18-16(12)8-22-11-23-18)17-6-5-13(28-17)10-25-19(26)14-3-1-2-4-15(14)20(25)27/h1-4,8-9,11,13,17H,5-6,10H2.
What are the key properties of 7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 373.37 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(1,3-dioxoisoindol-2-yl)methyl]oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 144719786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).