[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone

C21H18N6O2 — CID 118664056

IUPAC[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)N5CC(O)C5)n4)c3c2)c1
InChIInChI=1S/C21H18N6O2/c22-16-6-15(8-23-10-16)13-4-5-14-9-24-27(19(14)7-13)20-3-1-2-18(25-20)21(29)26-11-17(28)12-26/h1-10,17,28H,11-12,22H2
InChIKeyWSLZLEZHWIUPST-UHFFFAOYSA-N
MW386.42 g/mol
LogP1.88
Rot. Bonds3

About [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone

[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 118664056) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
PubChem CID118664056
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)N5CC(O)C5)n4)c3c2)c1
InChIInChI=1S/C21H18N6O2/c22-16-6-15(8-23-10-16)13-4-5-14-9-24-27(19(14)7-13)20-3-1-2-18(25-20)21(29)26-11-17(28)12-26/h1-10,17,28H,11-12,22H2
InChIKeyWSLZLEZHWIUPST-UHFFFAOYSA-N
XLogP1.88
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Gsk 343
CID 71268957
Unc1999
CID 72551585
[5-Amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-(3-methoxyazetidin-1-yl)methanone
CID 118660867
N-[(1,2-Dihydro-6-methyl-2-oxo-4-propyl-3-pyridinyl)methyl]-1-(1-methylethyl)-6-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]-1H-indazole-4-carboxamide
CID 54596764
5-[[4-[4-[(3-hydroxyazetidin-1-yl)methyl]-3-methylpyrazol-1-yl]pyrimidin-2-yl]amino]-N,1-dimethylindazole-3-carboxamide
CID 162662603
N,4-dimethyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
CID 10001836
1-Isopropyl-N-((6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl)-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indazole-4-carboxamide
CID 53492732
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-1-propan-2-ylindazole-4-carboxamide
CID 67466175
1-[(2S)-butan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-(6-piperazin-1-yl-3-pyridinyl)indazole-4-carboxamide
CID 118133664
(5-amino-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)(azetidin-1-yl)methanone
CID 118660701
[5-Amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]-morpholin-4-ylmethanone
CID 118660788
(5-amino-8-(4-(1-methyl-1H-pyrazol-4-yl)phenyl)-1,6-naphthyridin-2-yl)(3-methoxy-3-methylazetidin-1-yl)methanone
CID 118660866

Frequently Asked Questions

What is the IUPAC name of [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone (CID 118664056) is [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone is Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)N5CC(O)C5)n4)c3c2)c1.
What is the InChIKey of [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is WSLZLEZHWIUPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c22-16-6-15(8-23-10-16)13-4-5-14-9-24-27(19(14)7-13)20-3-1-2-18(25-20)21(29)26-11-17(28)12-26/h1-10,17,28H,11-12,22H2.
What are the key properties of [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone?
[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 386.42 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 118664056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).