3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine

C20H17N3O — CID 162645312

IUPAC3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESCC1(c2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)CC1
InChIInChI=1S/C20H17N3O/c1-20(8-9-20)15-4-2-13(3-5-15)16-12-24-18-7-6-17(23-19(16)18)14-10-21-22-11-14/h2-7,10-12H,8-9H2,1H3,(H,21,22)
InChIKeyCJWBPPWAPHJBEQ-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.94
Rot. Bonds3

About 3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine

3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (PubChem CID 162645312) has the molecular formula C20H17N3O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.

Molecular Properties

Compound Name3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
PubChem CID162645312
Molecular FormulaC20H17N3O
Molecular Weight315.38 g/mol
Exact Mass315.14
IUPAC Name3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine
SMILESCC1(c2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)CC1
InChIInChI=1S/C20H17N3O/c1-20(8-9-20)15-4-2-13(3-5-15)16-12-24-18-7-6-17(23-19(16)18)14-10-21-22-11-14/h2-7,10-12H,8-9H2,1H3,(H,21,22)
InChIKeyCJWBPPWAPHJBEQ-UHFFFAOYSA-N
XLogP4.94
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The IUPAC name of 3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine (CID 162645312) is 3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine.
What is the SMILES notation for 3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The canonical SMILES for 3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is CC1(c2ccc(-c3coc4ccc(-c5cn[nH]c5)nc34)cc2)CC1.
What is the InChIKey of 3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
The InChIKey is CJWBPPWAPHJBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O/c1-20(8-9-20)15-4-2-13(3-5-15)16-12-24-18-7-6-17(23-19(16)18)14-10-21-22-11-14/h2-7,10-12H,8-9H2,1H3,(H,21,22).
What are the key properties of 3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine?
3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine has a molecular weight of 315.38 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylcyclopropyl)phenyl]-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine is sourced from PubChem (CID 162645312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).