7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

C24H34N6 — CID 68979221

IUPAC7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
SMILESN#Cc1ncc2cc(CN3CCC4(CCNC4)CC3)n(CCC3CCCCC3)c2n1
InChIInChI=1S/C24H34N6/c25-15-22-27-16-20-14-21(17-29-12-8-24(9-13-29)7-10-26-18-24)30(23(20)28-22)11-6-19-4-2-1-3-5-19/h14,16,19,26H,1-13,17-18H2
InChIKeyVQHZZXLUNDWFKO-UHFFFAOYSA-N
MW406.58 g/mol
LogP3.85
Rot. Bonds5

About 7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile

7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile (PubChem CID 68979221) has the molecular formula C24H34N6 and a molecular weight of 406.58 g/mol. Its IUPAC name is 7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
PubChem CID68979221
Molecular FormulaC24H34N6
Molecular Weight406.58 g/mol
Exact Mass406.28
IUPAC Name7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
SMILESN#Cc1ncc2cc(CN3CCC4(CCNC4)CC3)n(CCC3CCCCC3)c2n1
InChIInChI=1S/C24H34N6/c25-15-22-27-16-20-14-21(17-29-12-8-24(9-13-29)7-10-26-18-24)30(23(20)28-22)11-6-19-4-2-1-3-5-19/h14,16,19,26H,1-13,17-18H2
InChIKeyVQHZZXLUNDWFKO-UHFFFAOYSA-N
XLogP3.85
TPSA69.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-[[2-cyano-7-(2-cyclohexylethyl)pyrrolo[2,3-d]pyrimidin-6-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxylic acid
CID 154117702
4-[[2-cyano-7-(2-cyclohexylethyl)pyrrolo[2,3-d]pyrimidin-6-yl]methoxy]benzoic acid
CID 44568190
7-(2,2-dimethylpropyl)-6-[(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 10272927
7-(2,2-dimethylpropyl)-6-[[4-[4-(trifluoromethoxy)phenyl]piperazin-1-yl]methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 59834597
6-[[4-[2-[2-(dimethylamino)ethoxy]phenyl]piperazin-1-yl]methyl]-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 68924221
7-(2,2-dimethylpropyl)-6-[(4-methyl-2,6-dioxopiperazin-1-yl)methyl]pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 59834582
6-[(1R)-2-(2,8-diazaspiro[4.5]decan-8-yl)-1-hydroxyethyl]-4-methylpyridine-3-carbonitrile
CID 130466183
9-[(2-methylpyrazol-3-yl)methyl]-3,9-diazaspiro[5.6]dodecane
CID 131951949
2-[(2-methylpyrazol-3-yl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908563
3-(2-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane
CID 62937065
5-bromo-4-(2-cyclohexylethylamino)pyrimidine-2-carbonitrile
CID 69374006
2-[(5-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908225

Frequently Asked Questions

What is the IUPAC name of 7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?
The IUPAC name of 7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile (CID 68979221) is 7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile.
What is the SMILES notation for 7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?
The canonical SMILES for 7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile is N#Cc1ncc2cc(CN3CCC4(CCNC4)CC3)n(CCC3CCCCC3)c2n1.
What is the InChIKey of 7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?
The InChIKey is VQHZZXLUNDWFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6/c25-15-22-27-16-20-14-21(17-29-12-8-24(9-13-29)7-10-26-18-24)30(23(20)28-22)11-6-19-4-2-1-3-5-19/h14,16,19,26H,1-13,17-18H2.
What are the key properties of 7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile?
7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile has a molecular weight of 406.58 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-cyclohexylethyl)-6-(2,8-diazaspiro[4.5]decan-8-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile is sourced from PubChem (CID 68979221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).