N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide

C18H17FN6O — CID 90216982

IUPACN-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
SMILESCC(C)CN1C2=C(C=C(C=C2)F)C(=N1)NC3=C(C=CN=C3)C(=O)NC#N
InChIInChI=1S/C18H17FN6O/c1-11(2)9-25-16-4-3-12(19)7-14(16)17(24-25)23-15-8-21-6-5-13(15)18(26)22-10-20/h3-8,11H,9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyHHHITATYTCPWBZ-UHFFFAOYSA-N
MW352.40 g/mol
LogP3.60
Rot. Bonds5

About N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide

N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide (PubChem CID 90216982) has the molecular formula C18H17FN6O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
PubChem CID90216982
Molecular FormulaC18H17FN6O
Molecular Weight352.40 g/mol
Exact Mass352.14
IUPAC NameN-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
SMILESCC(C)CN1C2=C(C=C(C=C2)F)C(=N1)NC3=C(C=CN=C3)C(=O)NC#N
InChIInChI=1S/C18H17FN6O/c1-11(2)9-25-16-4-3-12(19)7-14(16)17(24-25)23-15-8-21-6-5-13(15)18(26)22-10-20/h3-8,11H,9H2,1-2H3,(H,22,26)(H,23,24)
InChIKeyHHHITATYTCPWBZ-UHFFFAOYSA-N
XLogP3.60
TPSA95.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity549

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide?
The IUPAC name of N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide (CID 90216982) is N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide.
What is the SMILES notation for N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide?
The canonical SMILES for N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide is CC(C)CN1C2=C(C=C(C=C2)F)C(=N1)NC3=C(C=CN=C3)C(=O)NC#N.
What is the InChIKey of N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide?
The InChIKey is HHHITATYTCPWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-11(2)9-25-16-4-3-12(19)7-14(16)17(24-25)23-15-8-21-6-5-13(15)18(26)22-10-20/h3-8,11H,9H2,1-2H3,(H,22,26)(H,23,24).
What are the key properties of N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide?
N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 90216982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).