4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C18H17N5O2 — CID 167964227

IUPAC4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCOC1(c2ccnn2C)CN(c2ncnc3c2oc2ccccc23)C1
InChIInChI=1S/C18H17N5O2/c1-22-14(7-8-21-22)18(24-2)9-23(10-18)17-16-15(19-11-20-17)12-5-3-4-6-13(12)25-16/h3-8,11H,9-10H2,1-2H3
InChIKeyBFANADKMNGNUQN-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.47
Rot. Bonds3

About 4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine

4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 167964227) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID167964227
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESCOC1(c2ccnn2C)CN(c2ncnc3c2oc2ccccc23)C1
InChIInChI=1S/C18H17N5O2/c1-22-14(7-8-21-22)18(24-2)9-23(10-18)17-16-15(19-11-20-17)12-5-3-4-6-13(12)25-16/h3-8,11H,9-10H2,1-2H3
InChIKeyBFANADKMNGNUQN-UHFFFAOYSA-N
XLogP2.47
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 167964227) is 4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is COC1(c2ccnn2C)CN(c2ncnc3c2oc2ccccc23)C1.
What is the InChIKey of 4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is BFANADKMNGNUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-22-14(7-8-21-22)18(24-2)9-23(10-18)17-16-15(19-11-20-17)12-5-3-4-6-13(12)25-16/h3-8,11H,9-10H2,1-2H3.
What are the key properties of 4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 335.37 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-methoxy-3-(2-methylpyrazol-3-yl)azetidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 167964227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).