2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C20H17ClF4N6O2 — CID 171636925

IUPAC2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cc(C(=O)N2CC(c3nn(CC(=O)NCC(F)(F)F)c4ccc(F)c(Cl)c34)C2)ccn1
InChIInChI=1S/C20H17ClF4N6O2/c21-17-12(22)1-2-13-16(17)18(29-31(13)8-15(32)28-9-20(23,24)25)11-6-30(7-11)19(33)10-3-4-27-14(26)5-10/h1-5,11H,6-9H2,(H2,26,27)(H,28,32)
InChIKeyRTBGHWDSTIRZCY-UHFFFAOYSA-N
MW484.84 g/mol
LogP2.72
Rot. Bonds5

About 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 171636925) has the molecular formula C20H17ClF4N6O2 and a molecular weight of 484.84 g/mol. Its IUPAC name is 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID171636925
Molecular FormulaC20H17ClF4N6O2
Molecular Weight484.84 g/mol
Exact Mass484.10
IUPAC Name2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESNc1cc(C(=O)N2CC(c3nn(CC(=O)NCC(F)(F)F)c4ccc(F)c(Cl)c34)C2)ccn1
InChIInChI=1S/C20H17ClF4N6O2/c21-17-12(22)1-2-13-16(17)18(29-31(13)8-15(32)28-9-20(23,24)25)11-6-30(7-11)19(33)10-3-4-27-14(26)5-10/h1-5,11H,6-9H2,(H2,26,27)(H,28,32)
InChIKeyRTBGHWDSTIRZCY-UHFFFAOYSA-N
XLogP2.72
TPSA106.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.84
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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]-4-fluoroindazol-1-yl]-N-(1-bicyclo[1.1.1]pentanyl)acetamide
CID 171636850
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-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-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-[3-(azetidin-3-yl)-4-chloroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 177252983
(2-amino-4-pyridinyl)-[3-[1-[[1-(cyclopropylmethyl)triazol-4-yl]methyl]-4-fluoroindazol-3-yl]azetidin-1-yl]methanone;hydrochloride
CID 171636677
(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-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-5-fluoropyrimidine-4-carbonyl)azetidin-3-yl]-5-chloroindazol-1-yl]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 171636523
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295

Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 171636925) is 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is Nc1cc(C(=O)N2CC(c3nn(CC(=O)NCC(F)(F)F)c4ccc(F)c(Cl)c34)C2)ccn1.
What is the InChIKey of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RTBGHWDSTIRZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClF4N6O2/c21-17-12(22)1-2-13-16(17)18(29-31(13)8-15(32)28-9-20(23,24)25)11-6-30(7-11)19(33)10-3-4-27-14(26)5-10/h1-5,11H,6-9H2,(H2,26,27)(H,28,32).
What are the key properties of 2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[3-[1-(2-aminopyridine-4-carbonyl)azetidin-3-yl]-4-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 484.84 g/mol, XLogP of 2.72, 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-chloro-5-fluoroindazol-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 171636925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).