N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

C18H22N6O — CID 154741235

IUPACN-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN1CCC(Oc2ccc(CNc3ncnc4[nH]ncc34)cc2)CC1
InChIInChI=1S/C18H22N6O/c1-24-8-6-15(7-9-24)25-14-4-2-13(3-5-14)10-19-17-16-11-22-23-18(16)21-12-20-17/h2-5,11-12,15H,6-10H2,1H3,(H2,19,20,21,22,23)
InChIKeyRQTQLOJCLCBWDU-UHFFFAOYSA-N
MW338.42 g/mol
LogP2.44
Rot. Bonds5

About N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine

N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (PubChem CID 154741235) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
PubChem CID154741235
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC NameN-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
SMILESCN1CCC(Oc2ccc(CNc3ncnc4[nH]ncc34)cc2)CC1
InChIInChI=1S/C18H22N6O/c1-24-8-6-15(7-9-24)25-14-4-2-13(3-5-14)10-19-17-16-11-22-23-18(16)21-12-20-17/h2-5,11-12,15H,6-10H2,1H3,(H2,19,20,21,22,23)
InChIKeyRQTQLOJCLCBWDU-UHFFFAOYSA-N
XLogP2.44
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-methoxy-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]methanamine
CID 115005034
N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 16627006
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
CID 99971373
1-(4-fluorophenyl)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]methanesulfonamide
CID 99971665
[4-(1-methylpiperidin-4-yl)oxyphenyl]methanol
CID 84686879
N-[(5-methylpyrazin-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 118317173
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133326050
N-(2-cyclopropylethyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 133324202
6-(1-methylpiperidin-4-yl)oxy-1H-indazol-3-amine
CID 126695915
2-(2-methoxyphenoxy)-N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]acetamide
CID 99970858
5-(1-methylpiperidin-4-yl)oxypyridin-2-amine
CID 71565292
1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-3-(3-methyl-2-pyridinyl)thiourea
CID 100748698

Frequently Asked Questions

What is the IUPAC name of N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine (CID 154741235) is N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is CN1CCC(Oc2ccc(CNc3ncnc4[nH]ncc34)cc2)CC1.
What is the InChIKey of N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is RQTQLOJCLCBWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-24-8-6-15(7-9-24)25-14-4-2-13(3-5-14)10-19-17-16-11-22-23-18(16)21-12-20-17/h2-5,11-12,15H,6-10H2,1H3,(H2,19,20,21,22,23).
What are the key properties of N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine?
N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1-methylpiperidin-4-yl)oxyphenyl]methyl]-1H-pyrazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 154741235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).