[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone

C23H21FN6O — CID 118660891

IUPAC[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CC(C)(F)C5)nc34)cc2)cn1
InChIInChI=1S/C23H21FN6O/c1-23(24)12-30(13-23)22(31)19-8-7-17-20(28-19)18(10-26-21(17)25)15-5-3-14(4-6-15)16-9-27-29(2)11-16/h3-11H,12-13H2,1-2H3,(H2,25,26)
InChIKeyZLPZSHJTTWBCCD-UHFFFAOYSA-N
MW416.46 g/mol
LogP3.46
Rot. Bonds3

About [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone

[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone (PubChem CID 118660891) has the molecular formula C23H21FN6O and a molecular weight of 416.46 g/mol. Its IUPAC name is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone
PubChem CID118660891
Molecular FormulaC23H21FN6O
Molecular Weight416.46 g/mol
Exact Mass416.18
IUPAC Name[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CC(C)(F)C5)nc34)cc2)cn1
InChIInChI=1S/C23H21FN6O/c1-23(24)12-30(13-23)22(31)19-8-7-17-20(28-19)18(10-26-21(17)25)15-5-3-14(4-6-15)16-9-27-29(2)11-16/h3-11H,12-13H2,1-2H3,(H2,25,26)
InChIKeyZLPZSHJTTWBCCD-UHFFFAOYSA-N
XLogP3.46
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[5-Amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
CID 118660867
(R)-(3-methyl-4-(1-(4-(trifluoromethyl)phenyl)pyrido[3,4-d]pyridazin-4-yl)piperazin-1-yl)(phenyl)methanone
CID 25226761
N-methyl-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660644
8-[4-(1-Methylpyrazol-4-yl)phenyl]-1,6-naphthyridine-2-carboxamide
CID 118660845
N-(1-ethyl-8-methylpyrazolo[3,4-b]quinolin-3-yl)pyridine-2-carboxamide
CID 665268
2-Tert-butyl-1'-[2-(methylamino)quinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56968002
2-Tert-butyl-1'-[1-(methylamino)isoquinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 56968003
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
CID 57389723
2'-tert-butyl-1-(2-(dimethylamino)quinoline-7-carbonyl)-4',6'-dihydrospiro[piperidine-4,5'-pyrazolo[3,4-c]pyridin]-7'(2'H)-one
CID 67491705
1'-(2-Aminoquinoline-7-carbonyl)-1-isopropyl-1,4-dihydrospiro[indazole-5,4'-piperidin]-7(6H)-one
CID 70674463
2-Tert-butyl-1'-[2-(propylamino)quinoline-7-carbonyl]spiro[4,6-dihydropyrazolo[3,4-c]pyridine-5,4'-piperidine]-7-one
CID 73292728
US9586948, Example 42
CID 117872368

Frequently Asked Questions

What is the IUPAC name of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone?
The IUPAC name of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone (CID 118660891) is [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone?
The canonical SMILES for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone is Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CC(C)(F)C5)nc34)cc2)cn1.
What is the InChIKey of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone?
The InChIKey is ZLPZSHJTTWBCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O/c1-23(24)12-30(13-23)22(31)19-8-7-17-20(28-19)18(10-26-21(17)25)15-5-3-14(4-6-15)16-9-27-29(2)11-16/h3-11H,12-13H2,1-2H3,(H2,25,26).
What are the key properties of [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone?
[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone has a molecular weight of 416.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-fluoro-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 118660891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).