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

C19H20N6O2 — CID 162657271

IUPAC6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cn2ncc(-c3ccnc(OC(C)C)c3)c2nc1-c1cnn(C)c1
InChIInChI=1S/C19H20N6O2/c1-12(2)27-17-7-13(5-6-20-17)15-9-22-25-11-16(26-4)18(23-19(15)25)14-8-21-24(3)10-14/h5-12H,1-4H3
InChIKeyWGIIRAICDHPHBO-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.99
Rot. Bonds5

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

6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 162657271) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
PubChem CID162657271
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCOc1cn2ncc(-c3ccnc(OC(C)C)c3)c2nc1-c1cnn(C)c1
InChIInChI=1S/C19H20N6O2/c1-12(2)27-17-7-13(5-6-20-17)15-9-22-25-11-16(26-4)18(23-19(15)25)14-8-21-24(3)10-14/h5-12H,1-4H3
InChIKeyWGIIRAICDHPHBO-UHFFFAOYSA-N
XLogP2.99
TPSA79.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine (CID 162657271) is 6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine is COc1cn2ncc(-c3ccnc(OC(C)C)c3)c2nc1-c1cnn(C)c1.
What is the InChIKey of 6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is WGIIRAICDHPHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-12(2)27-17-7-13(5-6-20-17)15-9-22-25-11-16(26-4)18(23-19(15)25)14-8-21-24(3)10-14/h5-12H,1-4H3.
What are the key properties of 6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 364.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162657271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).