4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine

C18H23N7O — CID 163350566

IUPAC4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCc1cnc(C)c(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)n1
InChIInChI=1S/C18H23N7O/c1-11-9-19-12(2)18(21-11)26-14-5-7-25(8-6-14)17-15-10-20-24(4)16(15)22-13(3)23-17/h9-10,14H,5-8H2,1-4H3
InChIKeyIWZJQGOVSRDHPN-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.13
Rot. Bonds3

About 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine

4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine (PubChem CID 163350566) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
PubChem CID163350566
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
SMILESCc1cnc(C)c(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)n1
InChIInChI=1S/C18H23N7O/c1-11-9-19-12(2)18(21-11)26-14-5-7-25(8-6-14)17-15-10-20-24(4)16(15)22-13(3)23-17/h9-10,14H,5-8H2,1-4H3
InChIKeyIWZJQGOVSRDHPN-UHFFFAOYSA-N
XLogP2.13
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-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

N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 165433268
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
8-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-3-methyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 163349442
N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889695
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]pyridine-3-carbonitrile
CID 163350288
3-[1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]oxy-2,5-dimethylpyrazine
CID 163351280
tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
CID 156555085
1,6-dimethyl-4-(3-pyrazol-1-ylazetidin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 126900211
2-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-5-methyl-1,3,4-thiadiazole
CID 163348981
(9aS)-2-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 56890769

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine (CID 163350566) is 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine is Cc1cnc(C)c(OC2CCN(c3nc(C)nc4c3cnn4C)CC2)n1.
What is the InChIKey of 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
The InChIKey is IWZJQGOVSRDHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-11-9-19-12(2)18(21-11)26-14-5-7-25(8-6-14)17-15-10-20-24(4)16(15)22-13(3)23-17/h9-10,14H,5-8H2,1-4H3.
What are the key properties of 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine?
4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine has a molecular weight of 353.43 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 163350566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).