methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate

C17H22N4O5 — CID 168853534

IUPACmethyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(OC)CCC(c2nc3c(cnn3C3COC3)c(=O)[nH]2)CC1
InChIInChI=1S/C17H22N4O5/c1-24-16(23)17(25-2)5-3-10(4-6-17)13-19-14-12(15(22)20-13)7-18-21(14)11-8-26-9-11/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,20,22)
InChIKeyCSJTXLLFEWMCDO-UHFFFAOYSA-N
MW362.39 g/mol
LogP0.91
Rot. Bonds4

About methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate

methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate (PubChem CID 168853534) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate
PubChem CID168853534
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC Namemethyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(OC)CCC(c2nc3c(cnn3C3COC3)c(=O)[nH]2)CC1
InChIInChI=1S/C17H22N4O5/c1-24-16(23)17(25-2)5-3-10(4-6-17)13-19-14-12(15(22)20-13)7-18-21(14)11-8-26-9-11/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,20,22)
InChIKeyCSJTXLLFEWMCDO-UHFFFAOYSA-N
XLogP0.91
TPSA108.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate 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

methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate
CID 168853603
methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate
CID 137241318
methyl 4-(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)-1-methoxycyclohexane-1-carboxylate
CID 168853533
6-(4-methylpyrrolidin-3-yl)-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136959572
3-(1-cyclohexyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)-N-[4-(dimethylamino)phenyl]azetidine-1-carboxamide
CID 135867306
6-[(3S,4S)-4-ethylpyrrolidin-3-yl]-1-(oxan-4-yl)-5H-pyrazolo[5,4-d]pyrimidin-4-one;hydron;chloride
CID 173048906
methyl 4-[[(3R,4R)-3-methyl-4-[1-(oxan-4-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]pyrrolidin-1-yl]methyl]benzoate
CID 136959456
ethyl 2-[[1-(4,4-difluorocyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]propanoate
CID 146659529
1-(oxan-4-yl)-6-[(1S)-2-pyrimidin-2-ylcyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100350
1-(oxan-4-yl)-6-(oxetan-3-ylmethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137255798
1-(4,4-difluorocyclohexyl)-6-[(1R)-2-(4,5-dimethyl-1,3-oxazol-2-yl)cyclobutyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137100338
cis-(1S,2R)-2-[1-(4,4-difluorocyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-N-[(Z)-ethylideneamino]cyclobutane-1-carboxamide
CID 137138384

Frequently Asked Questions

What is the IUPAC name of methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate (CID 168853534) is methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate is COC(=O)C1(OC)CCC(c2nc3c(cnn3C3COC3)c(=O)[nH]2)CC1.
What is the InChIKey of methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate?
The InChIKey is CSJTXLLFEWMCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-24-16(23)17(25-2)5-3-10(4-6-17)13-19-14-12(15(22)20-13)7-18-21(14)11-8-26-9-11/h7,10-11H,3-6,8-9H2,1-2H3,(H,19,20,22).
What are the key properties of methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate?
methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate has a molecular weight of 362.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 168853534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).