N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide

C17H15FN4O — CID 118948207

IUPACN-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(c1ccc(F)nc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H15FN4O/c18-16-7-5-14(10-19-16)22(17(23)11-2-1-3-11)13-4-6-15-12(8-13)9-20-21-15/h4-11H,1-3H2,(H,20,21)
InChIKeyKSIVYOBXTJBFOV-UHFFFAOYSA-N
MW310.33 g/mol
LogP3.56
Rot. Bonds3

About N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide

N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide (PubChem CID 118948207) has the molecular formula C17H15FN4O and a molecular weight of 310.33 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide
PubChem CID118948207
Molecular FormulaC17H15FN4O
Molecular Weight310.33 g/mol
Exact Mass310.12
IUPAC NameN-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide
SMILESO=C(C1CCC1)N(c1ccc(F)nc1)c1ccc2[nH]ncc2c1
InChIInChI=1S/C17H15FN4O/c18-16-7-5-14(10-19-16)22(17(23)11-2-1-3-11)13-4-6-15-12(8-13)9-20-21-15/h4-11H,1-3H2,(H,20,21)
InChIKeyKSIVYOBXTJBFOV-UHFFFAOYSA-N
XLogP3.56
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-pyrazolo[3,4-b]pyridin-5-yl)-N-pyridin-3-ylcyclopentanecarboxamide
CID 118946301
N-(1H-indazol-5-yl)-2-piperidin-4-yl-N-pyridin-3-ylacetamide
CID 118948087
2-[1H-indazol-5-yl(methyl)amino]acetic acid
CID 83819829
N,N-dipyridin-3-ylcyclobutanecarboxamide
CID 126532272
N-(1H-indazol-5-yl)-N-pyridin-3-ylbenzamide
CID 118947884
N-[(3-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;2,2,2-trifluoroacetic acid
CID 66650544
4-fluoro-N-(1H-indazol-5-yl)-3-methyl-N-pyridin-3-ylbutanamide
CID 118948681
N-[(1R,3R)-3-(dimethylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 97056408
N-(1H-indazol-5-yl)-N-pyridin-3-ylpentanamide
CID 126523658
N-[3-(trifluoromethyl)cyclohexyl]-1H-indazol-5-amine
CID 64759996
N-methyl-N-piperidin-4-yl-1H-indazol-5-amine;hydrochloride
CID 117073123
1-[(1R,2S)-2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]-1-(1H-indazol-5-yl)urea
CID 174391941

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide (CID 118948207) is N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide is O=C(C1CCC1)N(c1ccc(F)nc1)c1ccc2[nH]ncc2c1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide?
The InChIKey is KSIVYOBXTJBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O/c18-16-7-5-14(10-19-16)22(17(23)11-2-1-3-11)13-4-6-15-12(8-13)9-20-21-15/h4-11H,1-3H2,(H,20,21).
What are the key properties of N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide?
N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide has a molecular weight of 310.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-N-(1H-indazol-5-yl)cyclobutanecarboxamide is sourced from PubChem (CID 118948207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).