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

C16H19ClN6O — CID 58935651

IUPAC5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nn(CCOC)c2c(Nc3cc(C)ccn3)nc(Cl)nc12
InChIInChI=1S/C16H19ClN6O/c1-4-11-13-14(23(22-11)7-8-24-3)15(21-16(17)20-13)19-12-9-10(2)5-6-18-12/h5-6,9H,4,7-8H2,1-3H3,(H,18,19,20,21)
InChIKeyWOVZBDIQXWMAPR-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.14
Rot. Bonds6

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

5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 58935651) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID58935651
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nn(CCOC)c2c(Nc3cc(C)ccn3)nc(Cl)nc12
InChIInChI=1S/C16H19ClN6O/c1-4-11-13-14(23(22-11)7-8-24-3)15(21-16(17)20-13)19-12-9-10(2)5-6-18-12/h5-6,9H,4,7-8H2,1-3H3,(H,18,19,20,21)
InChIKeyWOVZBDIQXWMAPR-UHFFFAOYSA-N
XLogP3.14
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine (CID 58935651) is 5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine is CCc1nn(CCOC)c2c(Nc3cc(C)ccn3)nc(Cl)nc12.
What is the InChIKey of 5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WOVZBDIQXWMAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-4-11-13-14(23(22-11)7-8-24-3)15(21-16(17)20-13)19-12-9-10(2)5-6-18-12/h5-6,9H,4,7-8H2,1-3H3,(H,18,19,20,21).
What are the key properties of 5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine?
5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 346.82 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-1-(2-methoxyethyl)-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 58935651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).