3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid

C16H13N3O3 — CID 141173330

IUPAC3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid
SMILESCOc1n[nH]c2cc(C(=CC(=O)O)c3cccnc3)ccc12
InChIInChI=1S/C16H13N3O3/c1-22-16-12-5-4-10(7-14(12)18-19-16)13(8-15(20)21)11-3-2-6-17-9-11/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyAZRGAKRFDZIGIG-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.48
Rot. Bonds4

About 3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid

3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid (PubChem CID 141173330) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is 3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid.

Molecular Properties

Compound Name3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid
PubChem CID141173330
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid
SMILESCOc1n[nH]c2cc(C(=CC(=O)O)c3cccnc3)ccc12
InChIInChI=1S/C16H13N3O3/c1-22-16-12-5-4-10(7-14(12)18-19-16)13(8-15(20)21)11-3-2-6-17-9-11/h2-9H,1H3,(H,18,19)(H,20,21)
InChIKeyAZRGAKRFDZIGIG-UHFFFAOYSA-N
XLogP2.48
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid?
The IUPAC name of 3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid (CID 141173330) is 3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid.
What is the SMILES notation for 3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid?
The canonical SMILES for 3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid is COc1n[nH]c2cc(C(=CC(=O)O)c3cccnc3)ccc12.
What is the InChIKey of 3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid?
The InChIKey is AZRGAKRFDZIGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-16-12-5-4-10(7-14(12)18-19-16)13(8-15(20)21)11-3-2-6-17-9-11/h2-9H,1H3,(H,18,19)(H,20,21).
What are the key properties of 3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid?
3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid has a molecular weight of 295.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-1H-indazol-6-yl)-3-pyridin-3-ylprop-2-enoic acid is sourced from PubChem (CID 141173330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).