2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide

C23H23FN6O2 — CID 171636850

IUPAC2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide
SMILESNc1cc(C(=O)N2CC(c3nn(CC(=O)NC45CC(C4)C5)c4cccc(F)c34)C2)ccn1
InChIInChI=1S/C23H23FN6O2/c24-16-2-1-3-17-20(16)21(28-30(17)12-19(31)27-23-7-13(8-23)9-23)15-10-29(11-15)22(32)14-4-5-26-18(25)6-14/h1-6,13,15H,7-12H2,(H2,25,26)(H,27,31)
InChIKeyBWZKJGLBDROYLR-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.06
Rot. Bonds5

About 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide

2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide (PubChem CID 171636850) has the molecular formula C23H23FN6O2 and a molecular weight of 434.48 g/mol. Its IUPAC name is 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide
PubChem CID171636850
Molecular FormulaC23H23FN6O2
Molecular Weight434.48 g/mol
Exact Mass434.19
IUPAC Name2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide
SMILESNc1cc(C(=O)N2CC(c3nn(CC(=O)NC45CC(C4)C5)c4cccc(F)c34)C2)ccn1
InChIInChI=1S/C23H23FN6O2/c24-16-2-1-3-17-20(16)21(28-30(17)12-19(31)27-23-7-13(8-23)9-23)15-10-29(11-15)22(32)14-4-5-26-18(25)6-14/h1-6,13,15H,7-12H2,(H2,25,26)(H,27,31)
InChIKeyBWZKJGLBDROYLR-UHFFFAOYSA-N
XLogP2.06
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-amino-4-pyridinyl)-[3-[4-fluoro-1-[(1-phenyltriazol-4-yl)methyl]indazol-3-yl]azetidin-1-yl]methanone
CID 171636736
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-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride
CID 171636677
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636786
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethoxymethyl)pyrrolidin-1-yl]ethanone
CID 171636669
(2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone
CID 177308012
2-[3-[1-[2-(cyclopropylamino)pyridine-4-carbonyl]azetidin-3-yl]-4,7-difluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 171636698
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636563
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-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
2-[3-[1-(2-amino-5-fluoropyridine-4-carbonyl)azetidin-3-yl]indazol-1-yl]-N-methyl-N-(oxan-4-yl)acetamide
CID 171636567

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide?
The IUPAC name of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide (CID 171636850) is 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide.
What is the SMILES notation for 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide?
The canonical SMILES for 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide is Nc1cc(C(=O)N2CC(c3nn(CC(=O)NC45CC(C4)C5)c4cccc(F)c34)C2)ccn1.
What is the InChIKey of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide?
The InChIKey is BWZKJGLBDROYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN6O2/c24-16-2-1-3-17-20(16)21(28-30(17)12-19(31)27-23-7-13(8-23)9-23)15-10-29(11-15)22(32)14-4-5-26-18(25)6-14/h1-6,13,15H,7-12H2,(H2,25,26)(H,27,31).
What are the key properties of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide?
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide has a molecular weight of 434.48 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide is sourced from PubChem (CID 171636850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).