3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine

C21H17N5O — CID 135567465

IUPAC3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
SMILESCn1cc(-c2ccc3occ(-c4cnn(Cc5ccccc5)c4)c3n2)cn1
InChIInChI=1S/C21H17N5O/c1-25-12-17(10-22-25)19-7-8-20-21(24-19)18(14-27-20)16-9-23-26(13-16)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3
InChIKeyIAJZCWZPVNGTMZ-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.14
Rot. Bonds4

About 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine

3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine (PubChem CID 135567465) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
PubChem CID135567465
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine
SMILESCn1cc(-c2ccc3occ(-c4cnn(Cc5ccccc5)c4)c3n2)cn1
InChIInChI=1S/C21H17N5O/c1-25-12-17(10-22-25)19-7-8-20-21(24-19)18(14-27-20)16-9-23-26(13-16)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3
InChIKeyIAJZCWZPVNGTMZ-UHFFFAOYSA-N
XLogP4.14
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine (CID 135567465) is 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine is Cn1cc(-c2ccc3occ(-c4cnn(Cc5ccccc5)c4)c3n2)cn1.
What is the InChIKey of 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is IAJZCWZPVNGTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-25-12-17(10-22-25)19-7-8-20-21(24-19)18(14-27-20)16-9-23-26(13-16)11-15-5-3-2-4-6-15/h2-10,12-14H,11H2,1H3.
What are the key properties of 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine?
3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 355.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrazol-4-yl)-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 135567465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).