2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide

C24H27FN6O3 — CID 171636567

IUPAC2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)Cn1nc(C2CN(C(=O)c3cc(N)ncc3F)C2)c2ccccc21)C1CCOCC1
InChIInChI=1S/C24H27FN6O3/c1-29(16-6-8-34-9-7-16)22(32)14-31-20-5-3-2-4-17(20)23(28-31)15-12-30(13-15)24(33)18-10-21(26)27-11-19(18)25/h2-5,10-11,15-16H,6-9,12-14H2,1H3,(H2,26,27)
InChIKeyCGLAROLVPYXSAS-UHFFFAOYSA-N
MW466.52 g/mol
LogP2.03
Rot. Bonds5

About 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide

2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 171636567) has the molecular formula C24H27FN6O3 and a molecular weight of 466.52 g/mol. Its IUPAC name is 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID171636567
Molecular FormulaC24H27FN6O3
Molecular Weight466.52 g/mol
Exact Mass466.21
IUPAC Name2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)Cn1nc(C2CN(C(=O)c3cc(N)ncc3F)C2)c2ccccc21)C1CCOCC1
InChIInChI=1S/C24H27FN6O3/c1-29(16-6-8-34-9-7-16)22(32)14-31-20-5-3-2-4-17(20)23(28-31)15-12-30(13-15)24(33)18-10-21(26)27-11-19(18)25/h2-5,10-11,15-16H,6-9,12-14H2,1H3,(H2,26,27)
InChIKeyCGLAROLVPYXSAS-UHFFFAOYSA-N
XLogP2.03
TPSA106.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.52
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide
CID 171636778
2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]-5-fluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 171636685
2-[3-[1-(2-amino-3-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 171636877
2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]-5,5-difluoro-6,7-dihydro-4H-indazol-1-yl]-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 171636528
2-[3-[1-(2-aminopyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 171636707
2-(3-aminopyrazol-1-yl)-N-methyl-N-(oxolan-3-yl)acetamide
CID 82741366
N-cyclohexyl-N-methyl-2-(4-methyl-1-oxo-[1,2,4]triazolo[4,3-a]benzimidazol-2-yl)acetamide
CID 16676035
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636563
6-amino-N-methyl-N-(oxan-4-yl)pyridine-3-carboxamide
CID 62156515
2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636757
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 171636663
2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 171636756

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide (CID 171636567) is 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide is CN(C(=O)Cn1nc(C2CN(C(=O)c3cc(N)ncc3F)C2)c2ccccc21)C1CCOCC1.
What is the InChIKey of 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is CGLAROLVPYXSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O3/c1-29(16-6-8-34-9-7-16)22(32)14-31-20-5-3-2-4-17(20)23(28-31)15-12-30(13-15)24(33)18-10-21(26)27-11-19(18)25/h2-5,10-11,15-16H,6-9,12-14H2,1H3,(H2,26,27).
What are the key properties of 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide?
2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 466.52 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 171636567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).