(2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

C21H22N6O — CID 118930273

IUPAC(2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESC[C@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CCO1
InChIInChI=1S/C21H22N6O/c1-15-13-26(7-8-28-15)21-10-19(5-6-22-21)27-20-9-16(3-4-17(20)11-24-27)18-12-23-25(2)14-18/h3-6,9-12,14-15H,7-8,13H2,1-2H3/t15-/m0/s1
InChIKeyYPPVZRYRSAHYIS-HNNXBMFYSA-N
MW374.45 g/mol
LogP3.05
Rot. Bonds3

About (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine

(2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (PubChem CID 118930273) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
PubChem CID118930273
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
SMILESC[C@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CCO1
InChIInChI=1S/C21H22N6O/c1-15-13-26(7-8-28-15)21-10-19(5-6-22-21)27-20-9-16(3-4-17(20)11-24-27)18-12-23-25(2)14-18/h3-6,9-12,14-15H,7-8,13H2,1-2H3/t15-/m0/s1
InChIKeyYPPVZRYRSAHYIS-HNNXBMFYSA-N
XLogP3.05
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine with MolForge

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Related Compounds

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CID 59473233
4-[4-(3-Quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]morpholine
CID 60182389
Vabametkib
CID 73504719
Pyrazolo pyrimidine, 5k
CID 25196900
1-[(3-Methyl-1-{2-[(1,2,3-Trimethyl-1h-Indol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698379
1-[(3-Methyl-1-{2-[(1-Methyl-1h-Indazol-5-Yl)amino]pyrimidin-4-Yl}-1h-Pyrazol-4-Yl)methyl]azetidin-3-Ol
CID 71698642
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-1h-Pyrrolo[3,2-C]pyridin-6-Amine
CID 86278567
4-[6-[5-(1-ethylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-2-pyridinyl]morpholine
CID 71253640
4-(4-(5-(1-Methyl-1H-pyrazol-4-yl)-1H-indazol-3-yl)pyridin-2-yl)morpholine
CID 90401078
5-[1-[6-[(3S)-3-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550248
4-(5,6-Dimethyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)morpholine
CID 4912264
Pyrazolo pyrimidine, 5o
CID 44520819

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (CID 118930273) is (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is C[C@H]1CN(c2cc(-n3ncc4ccc(-c5cnn(C)c5)cc43)ccn2)CCO1.
What is the InChIKey of (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is YPPVZRYRSAHYIS-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H22N6O/c1-15-13-26(7-8-28-15)21-10-19(5-6-22-21)27-20-9-16(3-4-17(20)11-24-27)18-12-23-25(2)14-18/h3-6,9-12,14-15H,7-8,13H2,1-2H3/t15-/m0/s1.
What are the key properties of (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
(2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine has a molecular weight of 374.45 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118930273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).