2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid

C14H13ClN4O3 — CID 66760695

IUPAC2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1cc(-c2cnc(N)c3oc(Cl)cc23)cn1
InChIInChI=1S/C14H13ClN4O3/c1-2-10(14(20)21)19-6-7(4-18-19)9-5-17-13(16)12-8(9)3-11(15)22-12/h3-6,10H,2H2,1H3,(H2,16,17)(H,20,21)
InChIKeySGFOVSOLMJGJFZ-UHFFFAOYSA-N
MW320.74 g/mol
LogP2.96
Rot. Bonds4

About 2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid

2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid (PubChem CID 66760695) has the molecular formula C14H13ClN4O3 and a molecular weight of 320.74 g/mol. Its IUPAC name is 2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid
PubChem CID66760695
Molecular FormulaC14H13ClN4O3
Molecular Weight320.74 g/mol
Exact Mass320.07
IUPAC Name2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid
SMILESCCC(C(=O)O)n1cc(-c2cnc(N)c3oc(Cl)cc23)cn1
InChIInChI=1S/C14H13ClN4O3/c1-2-10(14(20)21)19-6-7(4-18-19)9-5-17-13(16)12-8(9)3-11(15)22-12/h3-6,10H,2H2,1H3,(H2,16,17)(H,20,21)
InChIKeySGFOVSOLMJGJFZ-UHFFFAOYSA-N
XLogP2.96
TPSA107.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.74
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid (CID 66760695) is 2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid is CCC(C(=O)O)n1cc(-c2cnc(N)c3oc(Cl)cc23)cn1.
What is the InChIKey of 2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid?
The InChIKey is SGFOVSOLMJGJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O3/c1-2-10(14(20)21)19-6-7(4-18-19)9-5-17-13(16)12-8(9)3-11(15)22-12/h3-6,10H,2H2,1H3,(H2,16,17)(H,20,21).
What are the key properties of 2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid?
2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid has a molecular weight of 320.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-amino-2-chlorofuro[2,3-c]pyridin-4-yl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 66760695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).