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

C19H17N3O3 — CID 142503619

IUPAC7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)O)nc4c3OCC4)cc2)cn1
InChIInChI=1S/C19H17N3O3/c1-22-11-15(10-20-22)13-4-2-12(3-5-13)8-14-9-17(19(23)24)21-16-6-7-25-18(14)16/h2-5,9-11H,6-8H2,1H3,(H,23,24)
InChIKeyZRZCKDUERBTKGD-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.71
Rot. Bonds4

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

7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid (PubChem CID 142503619) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid
PubChem CID142503619
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)O)nc4c3OCC4)cc2)cn1
InChIInChI=1S/C19H17N3O3/c1-22-11-15(10-20-22)13-4-2-12(3-5-13)8-14-9-17(19(23)24)21-16-6-7-25-18(14)16/h2-5,9-11H,6-8H2,1H3,(H,23,24)
InChIKeyZRZCKDUERBTKGD-UHFFFAOYSA-N
XLogP2.71
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid?
The IUPAC name of 7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid (CID 142503619) is 7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid.
What is the SMILES notation for 7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid?
The canonical SMILES for 7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid is Cn1cc(-c2ccc(Cc3cc(C(=O)O)nc4c3OCC4)cc2)cn1.
What is the InChIKey of 7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid?
The InChIKey is ZRZCKDUERBTKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-22-11-15(10-20-22)13-4-2-12(3-5-13)8-14-9-17(19(23)24)21-16-6-7-25-18(14)16/h2-5,9-11H,6-8H2,1H3,(H,23,24).
What are the key properties of 7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid?
7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydrofuro[3,2-b]pyridine-5-carboxylic acid is sourced from PubChem (CID 142503619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).