5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane

C19H27ClN6 — CID 143221039

IUPAC5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane
SMILESCCC.CCCn1nc(CC)c2nc(Cl)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C16H19ClN6.C3H8/c1-4-8-23-14-13(11(5-2)22-23)20-16(17)21-15(14)19-12-9-10(3)6-7-18-12;1-3-2/h6-7,9H,4-5,8H2,1-3H3,(H,18,19,20,21);3H2,1-2H3
InChIKeyOCSHRLIFDULBMI-UHFFFAOYSA-N
MW374.92 g/mol
LogP5.32
Rot. Bonds5

About 5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane

5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane (PubChem CID 143221039) has the molecular formula C19H27ClN6 and a molecular weight of 374.92 g/mol. Its IUPAC name is 5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane.

Molecular Properties

Compound Name5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane
PubChem CID143221039
Molecular FormulaC19H27ClN6
Molecular Weight374.92 g/mol
Exact Mass374.20
IUPAC Name5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane
SMILESCCC.CCCn1nc(CC)c2nc(Cl)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C16H19ClN6.C3H8/c1-4-8-23-14-13(11(5-2)22-23)20-16(17)21-15(14)19-12-9-10(3)6-7-18-12;1-3-2/h6-7,9H,4-5,8H2,1-3H3,(H,18,19,20,21);3H2,1-2H3
InChIKeyOCSHRLIFDULBMI-UHFFFAOYSA-N
XLogP5.32
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.92
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935651
5-chloro-3-(methoxymethyl)-N-(4-methyl-2-pyridinyl)-1-(2-propoxyethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935524
1-(2-ethoxyethyl)-3-ethyl-5-methyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 70999666
5-chloro-3-(chloromethyl)-N-(4-methyl-2-pyridinyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935461
5-chloro-3-ethyl-N-(2-methylpyrimidin-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 58935509
5-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 68925751
5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 87799916
2-[[1-(2-ethoxyethyl)-3-(methylaminomethyl)-7-[(4-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]methylamino]ethanol
CID 69051990
1-(2-ethoxyethyl)-3-(ethoxymethyl)-5-(3-methylpiperazin-1-yl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine;dihydrochloride
CID 68889438
1-(2-ethoxyethyl)-3-(methoxymethyl)-5-[(3R)-3-methylpiperazin-1-yl]-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 11385153
5-chloro-1-(2-ethoxyethyl)-N-(6-ethyl-2-pyridinyl)-3-(methoxymethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 87800608
1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46888542

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane?
The IUPAC name of 5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane (CID 143221039) is 5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane.
What is the SMILES notation for 5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane?
The canonical SMILES for 5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane is CCC.CCCn1nc(CC)c2nc(Cl)nc(Nc3cc(C)ccn3)c21.
What is the InChIKey of 5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane?
The InChIKey is OCSHRLIFDULBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6.C3H8/c1-4-8-23-14-13(11(5-2)22-23)20-16(17)21-15(14)19-12-9-10(3)6-7-18-12;1-3-2/h6-7,9H,4-5,8H2,1-3H3,(H,18,19,20,21);3H2,1-2H3.
What are the key properties of 5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane?
5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane has a molecular weight of 374.92 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-N-(4-methyl-2-pyridinyl)-1-propylpyrazolo[4,5-d]pyrimidin-7-amine;propane is sourced from PubChem (CID 143221039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).