N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

C22H18FN7O — CID 146282316

IUPACN-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3cnccn3)n2-c2ccccc2F)C1)c1ccccn1
InChIInChI=1S/C22H18FN7O/c23-16-5-1-2-7-19(16)30-20(28-29-21(30)18-13-24-9-10-26-18)14-11-15(12-14)27-22(31)17-6-3-4-8-25-17/h1-10,13-15H,11-12H2,(H,27,31)
InChIKeyLOVZOMTUQFOVHB-UHFFFAOYSA-N
MW415.43 g/mol
LogP2.93
Rot. Bonds5

About N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide

N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (PubChem CID 146282316) has the molecular formula C22H18FN7O and a molecular weight of 415.43 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
PubChem CID146282316
Molecular FormulaC22H18FN7O
Molecular Weight415.43 g/mol
Exact Mass415.16
IUPAC NameN-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide
SMILESO=C(NC1CC(c2nnc(-c3cnccn3)n2-c2ccccc2F)C1)c1ccccn1
InChIInChI=1S/C22H18FN7O/c23-16-5-1-2-7-19(16)30-20(28-29-21(30)18-13-24-9-10-26-18)14-11-15(12-14)27-22(31)17-6-3-4-8-25-17/h1-10,13-15H,11-12H2,(H,27,31)
InChIKeyLOVZOMTUQFOVHB-UHFFFAOYSA-N
XLogP2.93
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Takeda103A
CID 11155477
6-cyclopropyl-N-[1-(4-fluorophenyl)pyrazol-3-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
CID 53328249
GS-444217
CID 57504987
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]-1,5-naphthyridine-4-carboxamide
CID 146277109
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 146277122
7-fluoro-N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 146277125
N-[3-[4-(2-fluorophenyl)-5-pyridin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]quinoxaline-5-carboxamide
CID 146282333
N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide
CID 58102999
N-[(2,6-difluorophenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 11524891
USRE48711, Example 184
CID 58103093
(4-fluorophenyl)-[(8R)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453148
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)tetrazol-2-yl]propan-2-yl]-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide
CID 72700268

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide (CID 146282316) is N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is O=C(NC1CC(c2nnc(-c3cnccn3)n2-c2ccccc2F)C1)c1ccccn1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
The InChIKey is LOVZOMTUQFOVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7O/c23-16-5-1-2-7-19(16)30-20(28-29-21(30)18-13-24-9-10-26-18)14-11-15(12-14)27-22(31)17-6-3-4-8-25-17/h1-10,13-15H,11-12H2,(H,27,31).
What are the key properties of N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide?
N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]cyclobutyl]pyridine-2-carboxamide is sourced from PubChem (CID 146282316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).