(2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone

C16H14FN5O — CID 177308012

IUPAC(2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CC(c3[nH]nc4cccc(F)c34)C2)ccn1
InChIInChI=1S/C16H14FN5O/c17-11-2-1-3-12-14(11)15(21-20-12)10-7-22(8-10)16(23)9-4-5-19-13(18)6-9/h1-6,10H,7-8H2,(H2,18,19)(H,20,21)
InChIKeyQVBYEZWCKJQYEH-UHFFFAOYSA-N
MW311.32 g/mol
LogP1.92
Rot. Bonds2

About (2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone

(2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone (PubChem CID 177308012) has the molecular formula C16H14FN5O and a molecular weight of 311.32 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone
PubChem CID177308012
Molecular FormulaC16H14FN5O
Molecular Weight311.32 g/mol
Exact Mass311.12
IUPAC Name(2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone
SMILESNc1cc(C(=O)N2CC(c3[nH]nc4cccc(F)c34)C2)ccn1
InChIInChI=1S/C16H14FN5O/c17-11-2-1-3-12-14(11)15(21-20-12)10-7-22(8-10)16(23)9-4-5-19-13(18)6-9/h1-6,10H,7-8H2,(H2,18,19)(H,20,21)
InChIKeyQVBYEZWCKJQYEH-UHFFFAOYSA-N
XLogP1.92
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-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-fluoroindazol-1-yl]-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 171636663
(2-amino-4-pyridinyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 55043295
(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)-(8-azaspiro[4.5]decan-8-yl)methanone
CID 63161919
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
(2-amino-4-pyridinyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 107228705
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]-4,6-difluoroindazol-1-yl]-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 171636786
[2-(2-fluoro-6-methoxyphenyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 56701220
1-[4-(2-aminopyridine-4-carbonyl)piperazin-1-yl]-2-hydroxyethanone
CID 167885756

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone (CID 177308012) is (2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone is Nc1cc(C(=O)N2CC(c3[nH]nc4cccc(F)c34)C2)ccn1.
What is the InChIKey of (2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone?
The InChIKey is QVBYEZWCKJQYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O/c17-11-2-1-3-12-14(11)15(21-20-12)10-7-22(8-10)16(23)9-4-5-19-13(18)6-9/h1-6,10H,7-8H2,(H2,18,19)(H,20,21).
What are the key properties of (2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone?
(2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone has a molecular weight of 311.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[3-(4-fluoro-2H-indazol-3-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 177308012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).