4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

C18H23N7O2 — CID 136738167

IUPAC4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c2cnn(C)c2n1
InChIInChI=1S/C18H23N7O2/c1-11-20-14(7-16(26)21-11)12-5-4-6-25(9-12)18-13-8-19-24(2)17(13)22-15(23-18)10-27-3/h7-8,12H,4-6,9-10H2,1-3H3,(H,20,21,26)/t12-/m1/s1
InChIKeyRXKAPNVZITXJLU-GFCCVEGCSA-N
MW369.43 g/mol
LogP1.29
Rot. Bonds4

About 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136738167) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID136738167
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c2cnn(C)c2n1
InChIInChI=1S/C18H23N7O2/c1-11-20-14(7-16(26)21-11)12-5-4-6-25(9-12)18-13-8-19-24(2)17(13)22-15(23-18)10-27-3/h7-8,12H,4-6,9-10H2,1-3H3,(H,20,21,26)/t12-/m1/s1
InChIKeyRXKAPNVZITXJLU-GFCCVEGCSA-N
XLogP1.29
TPSA101.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

6-(methoxymethyl)-1-methyl-4-[(3S)-3-propoxypiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95718779
(3R)-N-(3-hydroxypropyl)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95716543
2-methyl-4-[1-(5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 138384761
6-(methoxymethyl)-1-methyl-4-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 56885738
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 171915775
ethyl 1-(1-methyl-6-propylpyrazolo[5,4-d]pyrimidin-4-yl)piperidine-3-carboxylate
CID 56897120
4-[(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136782821
2-[4-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperazin-1-yl]benzonitrile
CID 56883146
4-[(3S)-1-(5-ethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136847948
1-(6-cyclopentyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)azetidin-3-amine
CID 56909758
(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
1,6-dimethyl-4-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 95578448

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 136738167) is 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is COCc1nc(N2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c2cnn(C)c2n1.
What is the InChIKey of 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is RXKAPNVZITXJLU-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-11-20-14(7-16(26)21-11)12-5-4-6-25(9-12)18-13-8-19-24(2)17(13)22-15(23-18)10-27-3/h7-8,12H,4-6,9-10H2,1-3H3,(H,20,21,26)/t12-/m1/s1.
What are the key properties of 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 369.43 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[6-(methoxymethyl)-1-methylpyrazolo[5,4-d]pyrimidin-4-yl]piperidin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136738167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).