2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide

C24H25F3N6O2 — CID 171636778

IUPAC2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide
SMILESCN(CC1CC(F)(F)C1)C(=O)Cn1nc(C2CN(C(=O)c3cc(N)ncc3F)C2)c2ccccc21
InChIInChI=1S/C24H25F3N6O2/c1-31(10-14-7-24(26,27)8-14)21(34)13-33-19-5-3-2-4-16(19)22(30-33)15-11-32(12-15)23(35)17-6-20(28)29-9-18(17)25/h2-6,9,14-15H,7-8,10-13H2,1H3,(H2,28,29)
InChIKeyVCPNLOQBRRGLHW-UHFFFAOYSA-N
MW486.50 g/mol
LogP2.90
Rot. Bonds6

About 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide

2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide (PubChem CID 171636778) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide
PubChem CID171636778
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC Name2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide
SMILESCN(CC1CC(F)(F)C1)C(=O)Cn1nc(C2CN(C(=O)c3cc(N)ncc3F)C2)c2ccccc21
InChIInChI=1S/C24H25F3N6O2/c1-31(10-14-7-24(26,27)8-14)21(34)13-33-19-5-3-2-4-16(19)22(30-33)15-11-32(12-15)23(35)17-6-20(28)29-9-18(17)25/h2-6,9,14-15H,7-8,10-13H2,1H3,(H2,28,29)
InChIKeyVCPNLOQBRRGLHW-UHFFFAOYSA-N
XLogP2.90
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide
CID 171636567
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-5-fluoropyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 171636523
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-[1-(2-amino-3-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 171636877
tert-butyl 3-[1-[2-(1-bicyclo[1.1.1]pentanylamino)-2-oxoethyl]-4-fluoroindazol-3-yl]azetidine-1-carboxylate
CID 171636755
tert-butyl 3-[1-(2-ethoxy-2-oxoethyl)-5-methylindazol-3-yl]azetidine-1-carboxylate
CID 171636741
2-[3-[1-(2-amino-3-methylpyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 171636803
2-[3-[1-(2-fluorobenzoyl)pyrrolidin-3-yl]indol-1-yl]-N,N-dimethylacetamide
CID 11574724
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 171636925
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636563

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-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide?
The IUPAC name of 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide (CID 171636778) is 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide is CN(CC1CC(F)(F)C1)C(=O)Cn1nc(C2CN(C(=O)c3cc(N)ncc3F)C2)c2ccccc21.
What is the InChIKey of 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide?
The InChIKey is VCPNLOQBRRGLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-31(10-14-7-24(26,27)8-14)21(34)13-33-19-5-3-2-4-16(19)22(30-33)15-11-32(12-15)23(35)17-6-20(28)29-9-18(17)25/h2-6,9,14-15H,7-8,10-13H2,1H3,(H2,28,29).
What are the key properties of 2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide?
2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide has a molecular weight of 486.50 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 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-[(3,3-difluorocyclobutyl)methyl]-N-methylacetamide is sourced from PubChem (CID 171636778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).