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

C21H22N6O — CID 118930277

IUPAC(2R)-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-/m1/s1
InChIKeyYPPVZRYRSAHYIS-OAHLLOKOSA-N
MW374.45 g/mol
LogP3.05
Rot. Bonds3

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

(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (PubChem CID 118930277) has the molecular formula C21H22N6O and a molecular weight of 374.45 g/mol. Its IUPAC name is (2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine
PubChem CID118930277
Molecular FormulaC21H22N6O
Molecular Weight374.45 g/mol
Exact Mass374.19
IUPAC Name(2R)-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-/m1/s1
InChIKeyYPPVZRYRSAHYIS-OAHLLOKOSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The IUPAC name of (2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine (CID 118930277) is (2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for (2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The canonical SMILES for (2R)-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 (2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
The InChIKey is YPPVZRYRSAHYIS-OAHLLOKOSA-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-/m1/s1.
What are the key properties of (2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine?
(2R)-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 (2R)-2-methyl-4-[4-[6-(1-methylpyrazol-4-yl)indazol-1-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 118930277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).