6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

C16H18N4O2 — CID 162650276

IUPAC6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnn3cc(OC)c(C(C)C)nc23)ccn1
InChIInChI=1S/C16H18N4O2/c1-10(2)15-13(21-3)9-20-16(19-15)12(8-18-20)11-5-6-17-14(7-11)22-4/h5-10H,1-4H3
InChIKeyRKLKVLCDNDXBBZ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.93
Rot. Bonds4

About 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine

6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 162650276) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID162650276
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCOc1cc(-c2cnn3cc(OC)c(C(C)C)nc23)ccn1
InChIInChI=1S/C16H18N4O2/c1-10(2)15-13(21-3)9-20-16(19-15)12(8-18-20)11-5-6-17-14(7-11)22-4/h5-10H,1-4H3
InChIKeyRKLKVLCDNDXBBZ-UHFFFAOYSA-N
XLogP2.93
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine (CID 162650276) is 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is COc1cc(-c2cnn3cc(OC)c(C(C)C)nc23)ccn1.
What is the InChIKey of 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is RKLKVLCDNDXBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10(2)15-13(21-3)9-20-16(19-15)12(8-18-20)11-5-6-17-14(7-11)22-4/h5-10H,1-4H3.
What are the key properties of 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine?
6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 298.35 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 162650276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).