1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C20H22N6O — CID 126951941

IUPAC1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1ccc2c(OC3CCN(c4ncnc5c4cnn5C)CC3)cccc21
InChIInChI=1S/C20H22N6O/c1-24-9-8-15-17(24)4-3-5-18(15)27-14-6-10-26(11-7-14)20-16-12-23-25(2)19(16)21-13-22-20/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3
InChIKeyJHIWPPGNIWUMKI-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.90
Rot. Bonds3

About 1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine

1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 126951941) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID126951941
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCn1ccc2c(OC3CCN(c4ncnc5c4cnn5C)CC3)cccc21
InChIInChI=1S/C20H22N6O/c1-24-9-8-15-17(24)4-3-5-18(15)27-14-6-10-26(11-7-14)20-16-12-23-25(2)19(16)21-13-22-20/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3
InChIKeyJHIWPPGNIWUMKI-UHFFFAOYSA-N
XLogP2.90
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-methyl-4-(1-methylpiperidin-4-yl)oxyindole
CID 126952178
4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 86808264
3-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-1,2,5-thiadiazole
CID 126951949
1-methyl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 126874144
N-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]cyclopropanamine
CID 62593364
N,N-dimethyl-1-[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
CID 47282393
4-[4-(1-chloroethyl)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 106838514
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 11356415
[4-(1-methylindol-4-yl)oxypiperidin-1-yl]-(oxan-4-yl)methanone
CID 126951816
1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-one
CID 43088529
1-methyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine;dihydrochloride
CID 166000897
4-[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]oxy-1-methylindole
CID 126951893

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 126951941) is 1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine is Cn1ccc2c(OC3CCN(c4ncnc5c4cnn5C)CC3)cccc21.
What is the InChIKey of 1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is JHIWPPGNIWUMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-24-9-8-15-17(24)4-3-5-18(15)27-14-6-10-26(11-7-14)20-16-12-23-25(2)19(16)21-13-22-20/h3-5,8-9,12-14H,6-7,10-11H2,1-2H3.
What are the key properties of 1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 362.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(1-methylindol-4-yl)oxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 126951941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).