methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate

C18H24N4O4 — CID 168853603

IUPACmethyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate
SMILESCOC(=O)C1(OC)CCC(c2nc3c(cnn3CC3CC3)c(=O)[nH]2)CC1
InChIInChI=1S/C18H24N4O4/c1-25-17(24)18(26-2)7-5-12(6-8-18)14-20-15-13(16(23)21-14)9-19-22(15)10-11-3-4-11/h9,11-12H,3-8,10H2,1-2H3,(H,20,21,23)
InChIKeyHXXHMEXRVRXERY-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.75
Rot. Bonds5

About methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate

methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate (PubChem CID 168853603) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate
PubChem CID168853603
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Namemethyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate
SMILESCOC(=O)C1(OC)CCC(c2nc3c(cnn3CC3CC3)c(=O)[nH]2)CC1
InChIInChI=1S/C18H24N4O4/c1-25-17(24)18(26-2)7-5-12(6-8-18)14-20-15-13(16(23)21-14)9-19-22(15)10-11-3-4-11/h9,11-12H,3-8,10H2,1-2H3,(H,20,21,23)
InChIKeyHXXHMEXRVRXERY-UHFFFAOYSA-N
XLogP1.75
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate with MolForge

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Related Compounds

methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate
CID 168853534
methyl 4-[1-(cyclopropylmethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate
CID 168853558
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
1-(cyclopropylmethyl)-4-methoxypyrazolo[5,4-d]pyrimidin-6-amine
CID 167822267
2-[(1-tert-butyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(cyclopropylmethyl)acetamide
CID 137262172
ethyl 2-[[1-(4,4-difluorocyclohexyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]sulfanyl]propanoate
CID 146659529
6-(cyclohexylmethyl)-1-propyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 142874925
4-chloro-1-(cyclopropylmethyl)-6-(trifluoromethyl)pyrazolo[5,4-d]pyrimidine
CID 97181109
1-methoxy-4-[1-(2-methoxyethyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylic acid
CID 168853542
4-[1-(2-hydroxy-2-methylpropyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylic acid
CID 168853611
6-[1-[(2R,4R)-1,2-dimethylpiperidine-4-carbonyl]azetidin-3-yl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 166384302

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate (CID 168853603) is methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate is COC(=O)C1(OC)CCC(c2nc3c(cnn3CC3CC3)c(=O)[nH]2)CC1.
What is the InChIKey of methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate?
The InChIKey is HXXHMEXRVRXERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-25-17(24)18(26-2)7-5-12(6-8-18)14-20-15-13(16(23)21-14)9-19-22(15)10-11-3-4-11/h9,11-12H,3-8,10H2,1-2H3,(H,20,21,23).
What are the key properties of methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate?
methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate is sourced from PubChem (CID 168853603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).