3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

C13H19N5O — CID 178044971

IUPAC3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1n[nH]c2nc(C)nc(N3CCCC(C)C3)c12
InChIInChI=1S/C13H19N5O/c1-8-5-4-6-18(7-8)12-10-11(14-9(2)15-12)16-17-13(10)19-3/h8H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyOSVNXPKZTVSKSG-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.91
Rot. Bonds2

About 3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine

3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 178044971) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID178044971
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCOc1n[nH]c2nc(C)nc(N3CCCC(C)C3)c12
InChIInChI=1S/C13H19N5O/c1-8-5-4-6-18(7-8)12-10-11(14-9(2)15-12)16-17-13(10)19-3/h8H,4-7H2,1-3H3,(H,14,15,16,17)
InChIKeyOSVNXPKZTVSKSG-UHFFFAOYSA-N
XLogP1.91
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 596791
4-methoxy-N,N-dimethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 10867185
1-Ethyl-3-(1-methylpiperidin-4-yl)oxypyrazolo[3,4-d]pyrimidin-4-amine
CID 70828542
1-(4-methoxy-1H-pyrazolo[5,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine
CID 139434694
1-(3-bromo-4-methoxy-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-methylpiperidin-4-amine
CID 139440593
4,15-Dimethyl-9-oxa-2,11,12,14,16-pentazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(16),10,13(17),14-tetraene;ethane
CID 178044441
ethane;(3S)-1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 178044450
ethane;1-(3-methoxy-6-methyl-1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-ol
CID 178044829
ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178044970
3-methoxy-4-(1,4-oxazepan-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 178104898
4-(Azepan-1-yl)-3-methoxy-1,6-dimethylpyrazolo[5,4-d]pyrimidine;ethane
CID 178105537
CID 178105981
CID 178105981

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (CID 178044971) is 3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is COc1n[nH]c2nc(C)nc(N3CCCC(C)C3)c12.
What is the InChIKey of 3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is OSVNXPKZTVSKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-8-5-4-6-18(7-8)12-10-11(14-9(2)15-12)16-17-13(10)19-3/h8H,4-7H2,1-3H3,(H,14,15,16,17).
What are the key properties of 3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 261.33 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 178044971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).