N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine

C20H25N5O2 — CID 45485214

IUPACN-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1ccc(Nc2c(C)c(OC3CCCNC3)nc3ccnn23)cc1
InChIInChI=1S/C20H25N5O2/c1-3-26-16-8-6-15(7-9-16)23-19-14(2)20(24-18-10-12-22-25(18)19)27-17-5-4-11-21-13-17/h6-10,12,17,21,23H,3-5,11,13H2,1-2H3
InChIKeyOASNHBNYZIVENG-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.31
Rot. Bonds6

About N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine

N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 45485214) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID45485214
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCOc1ccc(Nc2c(C)c(OC3CCCNC3)nc3ccnn23)cc1
InChIInChI=1S/C20H25N5O2/c1-3-26-16-8-6-15(7-9-16)23-19-14(2)20(24-18-10-12-22-25(18)19)27-17-5-4-11-21-13-17/h6-10,12,17,21,23H,3-5,11,13H2,1-2H3
InChIKeyOASNHBNYZIVENG-UHFFFAOYSA-N
XLogP3.31
TPSA72.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine (CID 45485214) is N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine is CCOc1ccc(Nc2c(C)c(OC3CCCNC3)nc3ccnn23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is OASNHBNYZIVENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-3-26-16-8-6-15(7-9-16)23-19-14(2)20(24-18-10-12-22-25(18)19)27-17-5-4-11-21-13-17/h6-10,12,17,21,23H,3-5,11,13H2,1-2H3.
What are the key properties of N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine?
N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 367.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-6-methyl-5-piperidin-3-yloxypyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 45485214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).