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

C15H25N5O — CID 178044970

IUPACethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCC.COc1n[nH]c2nc(C)nc(N3CCCC(C)C3)c12
InChIInChI=1S/C13H19N5O.C2H6/c1-8-5-4-6-18(7-8)12-10-11(14-9(2)15-12)16-17-13(10)19-3;1-2/h8H,4-7H2,1-3H3,(H,14,15,16,17);1-2H3
InChIKeyYTXUGMGRZOPAIP-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.93
Rot. Bonds2

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

ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (PubChem CID 178044970) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Nameethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
PubChem CID178044970
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Nameethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
SMILESCC.COc1n[nH]c2nc(C)nc(N3CCCC(C)C3)c12
InChIInChI=1S/C13H19N5O.C2H6/c1-8-5-4-6-18(7-8)12-10-11(14-9(2)15-12)16-17-13(10)19-3;1-2/h8H,4-7H2,1-3H3,(H,14,15,16,17);1-2H3
InChIKeyYTXUGMGRZOPAIP-UHFFFAOYSA-N
XLogP2.93
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine with MolForge

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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
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
CID 178106139
CID 178106139

Frequently Asked Questions

What is the IUPAC name of ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The IUPAC name of ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine (CID 178044970) is ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is CC.COc1n[nH]c2nc(C)nc(N3CCCC(C)C3)c12.
What is the InChIKey of ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
The InChIKey is YTXUGMGRZOPAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.C2H6/c1-8-5-4-6-18(7-8)12-10-11(14-9(2)15-12)16-17-13(10)19-3;1-2/h8H,4-7H2,1-3H3,(H,14,15,16,17);1-2H3.
What are the key properties of ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine?
ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine has a molecular weight of 291.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methoxy-6-methyl-4-(3-methylpiperidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 178044970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).