3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine

C23H31N7O — CID 152833129

IUPAC3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-n2nnc3cnc(CC4CCN(CCN5CCCC5)CC4)nc32)cc1
InChIInChI=1S/C23H31N7O/c1-31-20-6-4-19(5-7-20)30-23-21(26-27-30)17-24-22(25-23)16-18-8-12-29(13-9-18)15-14-28-10-2-3-11-28/h4-7,17-18H,2-3,8-16H2,1H3
InChIKeySWPRLCVWTSMMSW-UHFFFAOYSA-N
MW421.55 g/mol
LogP2.57
Rot. Bonds7

About 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine

3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine (PubChem CID 152833129) has the molecular formula C23H31N7O and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine
PubChem CID152833129
Molecular FormulaC23H31N7O
Molecular Weight421.55 g/mol
Exact Mass421.26
IUPAC Name3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine
SMILESCOc1ccc(-n2nnc3cnc(CC4CCN(CCN5CCCC5)CC4)nc32)cc1
InChIInChI=1S/C23H31N7O/c1-31-20-6-4-19(5-7-20)30-23-21(26-27-30)17-24-22(25-23)16-18-8-12-29(13-9-18)15-14-28-10-2-3-11-28/h4-7,17-18H,2-3,8-16H2,1H3
InChIKeySWPRLCVWTSMMSW-UHFFFAOYSA-N
XLogP2.57
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]methyl]cyclopentane-1-carboxylic acid
CID 159578665
tert-butyl (3R)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]methyl]pyrrolidine-1-carboxylate
CID 162046614
N-cyclopropyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 86279715
(2R)-2-[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]oxolan-3-amine
CID 90389930
4-[2-[4-[5-[(1-methylpyrazol-4-yl)methyl]triazolo[4,5-d]pyrimidin-3-yl]phenoxy]ethyl]morpholine
CID 158742604
5-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]methyl]-1H-imidazole-4-carbonitrile
CID 158557421
3-(4-ethoxyphenyl)-5-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]methyl]triazolo[4,5-d]pyrimidine
CID 152943522
3-(4-methoxyphenyl)-N-(1-methylpyrazol-4-yl)triazolo[4,5-d]pyrimidin-5-amine
CID 71667332
carbamic acid;N-cyclohexyl-3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-amine
CID 129094343
trans-(1S,3S)-3-[[3-(4-methoxyphenyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
CID 90389737
3-(4-methoxyphenyl)-N-[(1S,3S)-3-methylcyclopentyl]triazolo[4,5-d]pyrimidin-5-amine
CID 90397889
3-(4-methoxyphenyl)-N-[1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]triazolo[4,5-d]pyrimidin-5-amine
CID 118659253

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine?
The IUPAC name of 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine (CID 152833129) is 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine is COc1ccc(-n2nnc3cnc(CC4CCN(CCN5CCCC5)CC4)nc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine?
The InChIKey is SWPRLCVWTSMMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N7O/c1-31-20-6-4-19(5-7-20)30-23-21(26-27-30)17-24-22(25-23)16-18-8-12-29(13-9-18)15-14-28-10-2-3-11-28/h4-7,17-18H,2-3,8-16H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine?
3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine has a molecular weight of 421.55 g/mol, XLogP of 2.57, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[[1-(2-pyrrolidin-1-ylethyl)piperidin-4-yl]methyl]triazolo[4,5-d]pyrimidine is sourced from PubChem (CID 152833129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).