5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

C20H33N5O — CID 70717463

IUPAC5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N(C)CC2CCN(CCOC)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C20H33N5O/c1-6-18-13-19(25-20(21-18)15(2)16(3)22-25)23(4)14-17-7-9-24(10-8-17)11-12-26-5/h13,17H,6-12,14H2,1-5H3
InChIKeyIVCZZKLXGXDBTO-UHFFFAOYSA-N
MW359.52 g/mol
LogP2.70
Rot. Bonds7

About 5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine

5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 70717463) has the molecular formula C20H33N5O and a molecular weight of 359.52 g/mol. Its IUPAC name is 5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID70717463
Molecular FormulaC20H33N5O
Molecular Weight359.52 g/mol
Exact Mass359.27
IUPAC Name5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cc(N(C)CC2CCN(CCOC)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C20H33N5O/c1-6-18-13-19(25-20(21-18)15(2)16(3)22-25)23(4)14-17-7-9-24(10-8-17)11-12-26-5/h13,17H,6-12,14H2,1-5H3
InChIKeyIVCZZKLXGXDBTO-UHFFFAOYSA-N
XLogP2.70
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 70717463) is 5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1cc(N(C)CC2CCN(CCOC)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IVCZZKLXGXDBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O/c1-6-18-13-19(25-20(21-18)15(2)16(3)22-25)23(4)14-17-7-9-24(10-8-17)11-12-26-5/h13,17H,6-12,14H2,1-5H3.
What are the key properties of 5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine?
5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 359.52 g/mol, XLogP of 2.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N,2,3-trimethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 70717463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).