6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane

C21H31N5 — CID 167460755

IUPAC6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane
SMILESCc1ncnc2c1ccn2C1CCC(CN2CCCCC23CCNC3)C1
InChIInChI=1S/C21H31N5/c1-16-19-6-11-26(20(19)24-15-23-16)18-5-4-17(12-18)13-25-10-3-2-7-21(25)8-9-22-14-21/h6,11,15,17-18,22H,2-5,7-10,12-14H2,1H3
InChIKeyJVFPMTXSXMVKMB-UHFFFAOYSA-N
MW353.51 g/mol
LogP3.30
Rot. Bonds3

About 6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane

6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane (PubChem CID 167460755) has the molecular formula C21H31N5 and a molecular weight of 353.51 g/mol. Its IUPAC name is 6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane.

Molecular Properties

Compound Name6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane
PubChem CID167460755
Molecular FormulaC21H31N5
Molecular Weight353.51 g/mol
Exact Mass353.26
IUPAC Name6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane
SMILESCc1ncnc2c1ccn2C1CCC(CN2CCCCC23CCNC3)C1
InChIInChI=1S/C21H31N5/c1-16-19-6-11-26(20(19)24-15-23-16)18-5-4-17(12-18)13-25-10-3-2-7-21(25)8-9-22-14-21/h6,11,15,17-18,22H,2-5,7-10,12-14H2,1H3
InChIKeyJVFPMTXSXMVKMB-UHFFFAOYSA-N
XLogP3.30
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane?
The IUPAC name of 6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane (CID 167460755) is 6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane.
What is the SMILES notation for 6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane?
The canonical SMILES for 6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane is Cc1ncnc2c1ccn2C1CCC(CN2CCCCC23CCNC3)C1.
What is the InChIKey of 6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane?
The InChIKey is JVFPMTXSXMVKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5/c1-16-19-6-11-26(20(19)24-15-23-16)18-5-4-17(12-18)13-25-10-3-2-7-21(25)8-9-22-14-21/h6,11,15,17-18,22H,2-5,7-10,12-14H2,1H3.
What are the key properties of 6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane?
6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane has a molecular weight of 353.51 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(4-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]-2,6-diazaspiro[4.5]decane is sourced from PubChem (CID 167460755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).