6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

C20H33N7O — CID 56885738

IUPAC6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOCc1nc(N2CCC(C(C)N3CCN(C)CC3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C20H33N7O/c1-15(26-11-9-24(2)10-12-26)16-5-7-27(8-6-16)20-17-13-21-25(3)19(17)22-18(23-20)14-28-4/h13,15-16H,5-12,14H2,1-4H3
InChIKeyQZTSLWLIEBEPSX-UHFFFAOYSA-N
MW387.53 g/mol
LogP1.36
Rot. Bonds5

About 6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine

6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (PubChem CID 56885738) has the molecular formula C20H33N7O and a molecular weight of 387.53 g/mol. Its IUPAC name is 6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
PubChem CID56885738
Molecular FormulaC20H33N7O
Molecular Weight387.53 g/mol
Exact Mass387.27
IUPAC Name6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
SMILESCOCc1nc(N2CCC(C(C)N3CCN(C)CC3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C20H33N7O/c1-15(26-11-9-24(2)10-12-26)16-5-7-27(8-6-16)20-17-13-21-25(3)19(17)22-18(23-20)14-28-4/h13,15-16H,5-12,14H2,1-4H3
InChIKeyQZTSLWLIEBEPSX-UHFFFAOYSA-N
XLogP1.36
TPSA62.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95718779
2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 56883146
6-(methoxymethyl)-1-methyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 56883692
1-methyl-4-(4-methylpiperazin-1-yl)-6-(2-phenylethyl)pyrazolo[5,4-d]pyrimidine
CID 56912583
4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136738167
(1R)-6,7-dimethoxy-2-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]-1-methyl-3,4-dihydro-1H-isoquinoline
CID 95727314
(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95716543
4,6-dimethoxy-2-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrimidine
CID 97436267
1-methyl-4-(4-methylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 71004312
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
4-(4-ethylpiperazin-1-yl)-1-methyl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 56890443
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine (CID 56885738) is 6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is COCc1nc(N2CCC(C(C)N3CCN(C)CC3)CC2)c2cnn(C)c2n1.
What is the InChIKey of 6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is QZTSLWLIEBEPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7O/c1-15(26-11-9-24(2)10-12-26)16-5-7-27(8-6-16)20-17-13-21-25(3)19(17)22-18(23-20)14-28-4/h13,15-16H,5-12,14H2,1-4H3.
What are the key properties of 6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine?
6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 387.53 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 56885738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).