6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

C17H16N6O2 — CID 162649594

IUPAC6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnn3cc(OC)c(-c4cnn(C)c4)nc23)ccn1
InChIInChI=1S/C17H16N6O2/c1-22-9-12(7-19-22)16-14(24-2)10-23-17(21-16)13(8-20-23)11-4-5-18-15(6-11)25-3/h4-10H,1-3H3
InChIKeyIMYRHBGHTRQBCA-UHFFFAOYSA-N
MW336.36 g/mol
LogP2.21
Rot. Bonds4

About 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine

6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162649594) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID162649594
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnn3cc(OC)c(-c4cnn(C)c4)nc23)ccn1
InChIInChI=1S/C17H16N6O2/c1-22-9-12(7-19-22)16-14(24-2)10-23-17(21-16)13(8-20-23)11-4-5-18-15(6-11)25-3/h4-10H,1-3H3
InChIKeyIMYRHBGHTRQBCA-UHFFFAOYSA-N
XLogP2.21
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine (CID 162649594) is 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is COc1cc(-c2cnn3cc(OC)c(-c4cnn(C)c4)nc23)ccn1.
What is the InChIKey of 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is IMYRHBGHTRQBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c1-22-9-12(7-19-22)16-14(24-2)10-23-17(21-16)13(8-20-23)11-4-5-18-15(6-11)25-3/h4-10H,1-3H3.
What are the key properties of 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine?
6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 336.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162649594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).