5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide

C18H17FN4O2 — CID 118382332

IUPAC5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1n[nH]c2ccc(-c3cccnc3F)cc12
InChIInChI=1S/C18H17FN4O2/c19-17-13(2-1-6-20-17)12-3-4-15-14(8-12)16(23-22-15)18(24)21-9-11-5-7-25-10-11/h1-4,6,8,11H,5,7,9-10H2,(H,21,24)(H,22,23)
InChIKeyGRRZUDOVDPAICN-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.53
Rot. Bonds4

About 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide

5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide (PubChem CID 118382332) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
PubChem CID118382332
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1n[nH]c2ccc(-c3cccnc3F)cc12
InChIInChI=1S/C18H17FN4O2/c19-17-13(2-1-6-20-17)12-3-4-15-14(8-12)16(23-22-15)18(24)21-9-11-5-7-25-10-11/h1-4,6,8,11H,5,7,9-10H2,(H,21,24)(H,22,23)
InChIKeyGRRZUDOVDPAICN-UHFFFAOYSA-N
XLogP2.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide (CID 118382332) is 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide is O=C(NCC1CCOC1)c1n[nH]c2ccc(-c3cccnc3F)cc12.
What is the InChIKey of 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide?
The InChIKey is GRRZUDOVDPAICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-17-13(2-1-6-20-17)12-3-4-15-14(8-12)16(23-22-15)18(24)21-9-11-5-7-25-10-11/h1-4,6,8,11H,5,7,9-10H2,(H,21,24)(H,22,23).
What are the key properties of 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide?
5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-pyridinyl)-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).