7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid

C18H14N4O3 — CID 142503735

IUPAC7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)O)nc4ccoc34)cc2)nn1
InChIInChI=1S/C18H14N4O3/c1-22-10-16(20-21-22)12-4-2-11(3-5-12)8-13-9-15(18(23)24)19-14-6-7-25-17(13)14/h2-7,9-10H,8H2,1H3,(H,23,24)
InChIKeyVQFPFNWJCJFQRX-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.91
Rot. Bonds4

About 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid

7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid (PubChem CID 142503735) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid
PubChem CID142503735
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)O)nc4ccoc34)cc2)nn1
InChIInChI=1S/C18H14N4O3/c1-22-10-16(20-21-22)12-4-2-11(3-5-12)8-13-9-15(18(23)24)19-14-6-7-25-17(13)14/h2-7,9-10H,8H2,1H3,(H,23,24)
InChIKeyVQFPFNWJCJFQRX-UHFFFAOYSA-N
XLogP2.91
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid?
The IUPAC name of 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid (CID 142503735) is 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid?
The canonical SMILES for 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid is Cn1cc(-c2ccc(Cc3cc(C(=O)O)nc4ccoc34)cc2)nn1.
What is the InChIKey of 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid?
The InChIKey is VQFPFNWJCJFQRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-22-10-16(20-21-22)12-4-2-11(3-5-12)8-13-9-15(18(23)24)19-14-6-7-25-17(13)14/h2-7,9-10H,8H2,1H3,(H,23,24).
What are the key properties of 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid?
7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid has a molecular weight of 334.34 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]furo[3,2-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 142503735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).