4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine

C21H17N5O — CID 28641435

IUPAC4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
SMILESCn1cncc1Cn1ccc(-c2cccc(-c3nccc4occc34)c2)n1
InChIInChI=1S/C21H17N5O/c1-25-14-22-12-17(25)13-26-9-6-19(24-26)15-3-2-4-16(11-15)21-18-7-10-27-20(18)5-8-23-21/h2-12,14H,13H2,1H3
InChIKeyGOSYVFVRQQJIGF-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.14
Rot. Bonds4

About 4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine

4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine (PubChem CID 28641435) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
PubChem CID28641435
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine
SMILESCn1cncc1Cn1ccc(-c2cccc(-c3nccc4occc34)c2)n1
InChIInChI=1S/C21H17N5O/c1-25-14-22-12-17(25)13-26-9-6-19(24-26)15-3-2-4-16(11-15)21-18-7-10-27-20(18)5-8-23-21/h2-12,14H,13H2,1H3
InChIKeyGOSYVFVRQQJIGF-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 4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
The IUPAC name of 4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine (CID 28641435) is 4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
The canonical SMILES for 4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine is Cn1cncc1Cn1ccc(-c2cccc(-c3nccc4occc34)c2)n1.
What is the InChIKey of 4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
The InChIKey is GOSYVFVRQQJIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-25-14-22-12-17(25)13-26-9-6-19(24-26)15-3-2-4-16(11-15)21-18-7-10-27-20(18)5-8-23-21/h2-12,14H,13H2,1H3.
What are the key properties of 4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine?
4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]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 4-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]furo[3,2-c]pyridine is sourced from PubChem (CID 28641435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).