N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

C20H23N5OS — CID 2653467

IUPACN-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H23N5OS/c1-24(15-8-4-2-5-9-15)18(26)13-27-20-17-12-23-25(19(17)21-14-22-20)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3
InChIKeyODOCINHBPKXJCI-UHFFFAOYSA-N
MW381.51 g/mol
LogP3.70
Rot. Bonds5

About N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide

N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (PubChem CID 2653467) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
PubChem CID2653467
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC NameN-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
SMILESCN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H23N5OS/c1-24(15-8-4-2-5-9-15)18(26)13-27-20-17-12-23-25(19(17)21-14-22-20)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3
InChIKeyODOCINHBPKXJCI-UHFFFAOYSA-N
XLogP3.70
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diethyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 862680
1-(4-methylpiperidin-1-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 1173306
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507640
propan-2-yl 2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetate
CID 645916
cyclohexyl 2-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetate
CID 1445471
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 99154660
1-(2-chlorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethanone
CID 3260834
N-[(1R)-1-phenylethyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2653457
4-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 7199646
S-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl) carbamothioate
CID 88782245
N-(2-methylphenyl)-2-[[2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetyl]-propylamino]acetamide
CID 29350497
N'-cyclopentyl-N'-methyl-N-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 133285646

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide (CID 2653467) is N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is CN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
The InChIKey is ODOCINHBPKXJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c1-24(15-8-4-2-5-9-15)18(26)13-27-20-17-12-23-25(19(17)21-14-22-20)16-10-6-3-7-11-16/h3,6-7,10-12,14-15H,2,4-5,8-9,13H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide?
N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide has a molecular weight of 381.51 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide is sourced from PubChem (CID 2653467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).