N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine

C22H22N6O3S — CID 59789685

IUPACN-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H22N6O3S/c1-32(29,30)18-5-2-15(3-6-18)20-13-21(26-22(25-20)28-8-10-31-11-9-28)24-17-4-7-19-16(12-17)14-23-27-19/h2-7,12-14H,8-11H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyOEALYNBQWJVSPY-UHFFFAOYSA-N
MW450.52 g/mol
LogP3.00
Rot. Bonds5

About N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine

N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 59789685) has the molecular formula C22H22N6O3S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID59789685
Molecular FormulaC22H22N6O3S
Molecular Weight450.52 g/mol
Exact Mass450.15
IUPAC NameN-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C22H22N6O3S/c1-32(29,30)18-5-2-15(3-6-18)20-13-21(26-22(25-20)28-8-10-31-11-9-28)24-17-4-7-19-16(12-17)14-23-27-19/h2-7,12-14H,8-11H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyOEALYNBQWJVSPY-UHFFFAOYSA-N
XLogP3.00
TPSA113.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.52
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2-morpholin-4-yl-6-phenylpyrimidin-4-yl)-1H-indazol-5-amine
CID 52944867
N-[6-(4-methoxy-3-methylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 59789810
N-[6-(3-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine
CID 52946107
N-[3-[6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidin-4-yl]phenyl]hydroxylamine
CID 89423887
N-(3,4-dimethoxyphenyl)-2-morpholin-4-yl-6-phenylpyrimidin-4-amine
CID 112935575
6-[6-(methylamino)-3-pyridinyl]-2-morpholin-4-yl-N-phenylpyrimidin-4-amine
CID 71177854
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507868
6-(2-aminopyrimidin-5-yl)-N-(4-methoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507485
4-(3-hydroxyphenyl)-6-(1H-indazol-5-ylamino)-2-morpholin-4-ylpyrimidine-5-carboxylic acid
CID 59789728
6-(2-aminopyrimidin-5-yl)-2-morpholin-4-yl-N-(1H-pyrazol-5-yl)pyrimidin-4-amine
CID 42613649
6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
CID 121275797

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine (CID 59789685) is N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine is CS(=O)(=O)c1ccc(-c2cc(Nc3ccc4[nH]ncc4c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is OEALYNBQWJVSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3S/c1-32(29,30)18-5-2-15(3-6-18)20-13-21(26-22(25-20)28-8-10-31-11-9-28)24-17-4-7-19-16(12-17)14-23-27-19/h2-7,12-14H,8-11H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine?
N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 450.52 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methylsulfonylphenyl)-2-morpholin-4-ylpyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 59789685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).