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)Cn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc21
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
MW352.37 g/mol
LogP3.18
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 352.37 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 Weight352.37 g/mol
Exact Mass352.14
IUPAC NameN-cyano-3-[[5-fluoro-1-(2-methylpropyl)indazol-3-yl]amino]pyridine-4-carboxamide
SMILESCC(C)Cn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc21
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
XLogP3.18
TPSA95.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.18
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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Related Compounds

4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377741
3-[(1-Cyclopentyl-5-fluoroindazol-3-yl)amino]pyridine-4-carboxylic acid
CID 76282772
3-({1-[2-(4,4-Difluoropiperidin-1-Yl)ethyl]-5-Fluoro-1h-Indazol-3-Yl}amino)pyridine-4-Carboxylic Acid
CID 90216621
N-(5-Phenyl-1H-pyrazolo[3,4-c]pyridin-3-yl)butanamide
CID 6539526
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-fluoro-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 67776704
4-amino-N-[3-[[(4-methylphenyl)carbamoylamino]methyl]phenyl]pyrrolo[2,1-f][1,2,4]triazine-5-carboxamide
CID 44518503
US10774086, Example 7
CID 134551551
US10774086, Example 2
CID 134551579
US10774086, Example 9
CID 134551591
US10774086, Example 12
CID 134551927
US10774086, Example 30
CID 134551973
1-(2-fluorophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
CID 137375517

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)Cn1nc(Nc2cnccc2C(=O)NC#N)c2cc(F)ccc21.
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 352.37 g/mol, XLogP of 3.18, 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).