1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine

C17H27N5 — CID 56730568

IUPAC1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nc(N2CCCC(C)C2)c2c(n1)c(C)nn2CC
InChIInChI=1S/C17H27N5/c1-5-8-14-18-15-13(4)20-22(6-2)16(15)17(19-14)21-10-7-9-12(3)11-21/h12H,5-11H2,1-4H3
InChIKeyZEFDIIJNQFJKQJ-UHFFFAOYSA-N
MW301.44 g/mol
LogP3.34
Rot. Bonds4

About 1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine

1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine (PubChem CID 56730568) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine.

Molecular Properties

Compound Name1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine
PubChem CID56730568
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine
SMILESCCCc1nc(N2CCCC(C)C2)c2c(n1)c(C)nn2CC
InChIInChI=1S/C17H27N5/c1-5-8-14-18-15-13(4)20-22(6-2)16(15)17(19-14)21-10-7-9-12(3)11-21/h12H,5-11H2,1-4H3
InChIKeyZEFDIIJNQFJKQJ-UHFFFAOYSA-N
XLogP3.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-methyl-7-(4-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine
CID 71687649
4-methyl-6-[(3R)-3-methylpiperidin-1-yl]-2-propylpyrimidine
CID 40640900
ethyl 1-(1-ethyl-3-methylpyrazolo[4,5-d]pyrimidin-7-yl)piperidine-3-carboxylate
CID 56730294
2-ethyl-4-[(3R)-3-methylpiperidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 6546581
(2S,6R)-4-(1-ethyl-3-methyl-5-propan-2-ylpyrazolo[4,5-d]pyrimidin-7-yl)-2,6-dimethylmorpholine
CID 95738436
[1,3-dimethyl-6-(3-methylpiperidin-1-yl)pyrazolo[5,4-b]pyridin-5-yl]methanol
CID 82019023
N-ethyl-5-methyl-6-(3-methylpiperidin-1-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80980822
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 66123272
5-methyl-6-(4-propan-2-ylazepan-1-yl)-2-propylpyrimidin-4-amine
CID 80983578
N-ethyl-5-methyl-6-(2-methyl-1,4-oxazepan-4-yl)-2-propylpyrimidin-4-amine
CID 80985308
10-ethyl-12-(3-methylpiperidin-1-yl)-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraene
CID 56727379
N-[[4,6-dimethyl-2-(3-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 62284915

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine?
The IUPAC name of 1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine (CID 56730568) is 1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine.
What is the SMILES notation for 1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine?
The canonical SMILES for 1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine is CCCc1nc(N2CCCC(C)C2)c2c(n1)c(C)nn2CC.
What is the InChIKey of 1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine?
The InChIKey is ZEFDIIJNQFJKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-5-8-14-18-15-13(4)20-22(6-2)16(15)17(19-14)21-10-7-9-12(3)11-21/h12H,5-11H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine?
1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine has a molecular weight of 301.44 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-7-(3-methylpiperidin-1-yl)-5-propylpyrazolo[4,5-d]pyrimidine is sourced from PubChem (CID 56730568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).