[3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate

C14H13N5O4 — CID 174405697

IUPAC[3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate
SMILESCOc1cc(OC(N)=O)ccc1-c1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C14H13N5O4/c1-19-12-9(6-16-19)13(20)18-11(17-12)8-4-3-7(23-14(15)21)5-10(8)22-2/h3-6H,1-2H3,(H2,15,21)(H,17,18,20)
InChIKeyOMBDOWAZOVONIH-UHFFFAOYSA-N
MW315.29 g/mol
LogP0.79
Rot. Bonds3

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

[3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate (PubChem CID 174405697) has the molecular formula C14H13N5O4 and a molecular weight of 315.29 g/mol. Its IUPAC name is [3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate.

Molecular Properties

Compound Name[3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate
PubChem CID174405697
Molecular FormulaC14H13N5O4
Molecular Weight315.29 g/mol
Exact Mass315.10
IUPAC Name[3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate
SMILESCOc1cc(OC(N)=O)ccc1-c1nc2c(cnn2C)c(=O)[nH]1
InChIInChI=1S/C14H13N5O4/c1-19-12-9(6-16-19)13(20)18-11(17-12)8-4-3-7(23-14(15)21)5-10(8)22-2/h3-6H,1-2H3,(H2,15,21)(H,17,18,20)
InChIKeyOMBDOWAZOVONIH-UHFFFAOYSA-N
XLogP0.79
TPSA125.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

1-methyl-6-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135455617
2-(2,4-dimethoxyphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611623
4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778061
(6-amino-1-methylpyrazolo[5,4-d]pyrimidin-4-yl) carbamate
CID 143605674
2-(2,4-dimethoxyphenyl)-5-methyl-1H-imidazole-4-carboxylic acid
CID 63362576
5-(2,4-dimethoxyphenyl)-1-methylpyrazole-4-carboxylic acid
CID 82302598
6-(4-methoxyphenyl)-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135426480
6-[(7-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135965547
N-[3-methoxy-4-(7-oxo-3,6-dihydroimidazo[4,5-d]pyridazin-2-yl)phenyl]acetamide
CID 135987444
(4-ethynyl-3-methoxyphenyl) carbamate
CID 175536967
6-[[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-1-methyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136731448
ethyl 2-[4-[1-(4-methoxyphenyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]phenoxy]-2-methylpropanoate
CID 162660109

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate?
The IUPAC name of [3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate (CID 174405697) is [3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate.
What is the SMILES notation for [3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate?
The canonical SMILES for [3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate is COc1cc(OC(N)=O)ccc1-c1nc2c(cnn2C)c(=O)[nH]1.
What is the InChIKey of [3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate?
The InChIKey is OMBDOWAZOVONIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O4/c1-19-12-9(6-16-19)13(20)18-11(17-12)8-4-3-7(23-14(15)21)5-10(8)22-2/h3-6H,1-2H3,(H2,15,21)(H,17,18,20).
What are the key properties of [3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate?
[3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate has a molecular weight of 315.29 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)phenyl] carbamate is sourced from PubChem (CID 174405697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).