6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide

C21H14F3N7O — CID 118664326

IUPAC6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide
SMILESN#CCNC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(N)n1
InChIInChI=1S/C21H14F3N7O/c22-21(23,24)17-2-1-3-19(30-17)31-16-9-12(4-5-13(16)11-28-31)14-8-15(29-18(26)10-14)20(32)27-7-6-25/h1-5,8-11H,7H2,(H2,26,29)(H,27,32)
InChIKeyRLYSZYPURDYGKE-UHFFFAOYSA-N
MW437.39 g/mol
LogP3.34
Rot. Bonds4

About 6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide

6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide (PubChem CID 118664326) has the molecular formula C21H14F3N7O and a molecular weight of 437.39 g/mol. Its IUPAC name is 6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide
PubChem CID118664326
Molecular FormulaC21H14F3N7O
Molecular Weight437.39 g/mol
Exact Mass437.12
IUPAC Name6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide
SMILESN#CCNC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(N)n1
InChIInChI=1S/C21H14F3N7O/c22-21(23,24)17-2-1-3-19(30-17)31-16-9-12(4-5-13(16)11-28-31)14-8-15(29-18(26)10-14)20(32)27-7-6-25/h1-5,8-11H,7H2,(H2,26,29)(H,27,32)
InChIKeyRLYSZYPURDYGKE-UHFFFAOYSA-N
XLogP3.34
TPSA122.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.39
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-(1-methyl-6-(pyridin-3-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-ylamino)-N-(3-(trifluoromethyl)phenyl)benzamide
CID 16747388
Gsk 343
CID 71268957
Unc1999
CID 72551585
N,1-dimethyl-5-[[4-[3-methyl-4-[[(3R)-piperidin-3-yl]amino]pyrazol-1-yl]pyrimidin-2-yl]amino]indazole-3-carboxamide
CID 155925936
1-[[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]amino]-7-(1-methylpyrazol-4-yl)-5H-pyrido[4,3-b]indole-4-carboxamide
CID 42635854
N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
CID 54596764
Rock2-IN-6
CID 137387245
5-[[4-[4-[(dimethylamino)methyl]-3-fluoropyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162653141
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 665268
N,4-dimethyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CID 10001836
N-cyclopropyl-4-methyl-3-[[5-methyl-6-(pyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CID 10048112
N-cyclopropyl-4-methyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CID 10478416

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide (CID 118664326) is 6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide is N#CCNC(=O)c1cc(-c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)cc(N)n1.
What is the InChIKey of 6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide?
The InChIKey is RLYSZYPURDYGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N7O/c22-21(23,24)17-2-1-3-19(30-17)31-16-9-12(4-5-13(16)11-28-31)14-8-15(29-18(26)10-14)20(32)27-7-6-25/h1-5,8-11H,7H2,(H2,26,29)(H,27,32).
What are the key properties of 6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide?
6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide has a molecular weight of 437.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(cyanomethyl)-4-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carboxamide is sourced from PubChem (CID 118664326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).