6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide

C14H15FN4O — CID 63979904

IUPAC6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)c1ccc(F)nc1
InChIInChI=1S/C14H15FN4O/c1-19-12-4-2-3-11(10(12)8-17-19)18-14(20)9-5-6-13(15)16-7-9/h5-8,11H,2-4H2,1H3,(H,18,20)
InChIKeyQURGXQSMHYGGHZ-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.76
Rot. Bonds2

About 6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide

6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide (PubChem CID 63979904) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
PubChem CID63979904
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide
SMILESCn1ncc2c1CCCC2NC(=O)c1ccc(F)nc1
InChIInChI=1S/C14H15FN4O/c1-19-12-4-2-3-11(10(12)8-17-19)18-14(20)9-5-6-13(15)16-7-9/h5-8,11H,2-4H2,1H3,(H,18,20)
InChIKeyQURGXQSMHYGGHZ-UHFFFAOYSA-N
XLogP1.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 115497317
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 94145039
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 47027925
5-bromo-2-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 43063208
3-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 104741380
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
2-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)benzamide
CID 61213666
5-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)thiophene-2-carboxamide
CID 47166057
5-(4-fluorophenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]-1,2-oxazole-3-carboxamide
CID 95384681
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]quinoline-2-carboxamide
CID 38815166
6-chloro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-2-carboxamide
CID 62233294
2-methoxy-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 113233382

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide (CID 63979904) is 6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide is Cn1ncc2c1CCCC2NC(=O)c1ccc(F)nc1.
What is the InChIKey of 6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide?
The InChIKey is QURGXQSMHYGGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-19-12-4-2-3-11(10(12)8-17-19)18-14(20)9-5-6-13(15)16-7-9/h5-8,11H,2-4H2,1H3,(H,18,20).
What are the key properties of 6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide?
6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide has a molecular weight of 274.30 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 63979904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).