5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine

C22H27N5O3S — CID 133380160

IUPAC5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCC(C)c1nn(-c2ccccc2)cc1CNc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C22H27N5O3S/c1-17(2)22-18(16-27(25-22)19-6-4-3-5-7-19)14-23-21-9-8-20(15-24-21)31(28,29)26-10-12-30-13-11-26/h3-9,15-17H,10-14H2,1-2H3,(H,23,24)
InChIKeyAJEHCEIQOFDIDN-UHFFFAOYSA-N
MW441.56 g/mol
LogP3.02
Rot. Bonds7

About 5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine

5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine (PubChem CID 133380160) has the molecular formula C22H27N5O3S and a molecular weight of 441.56 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine
PubChem CID133380160
Molecular FormulaC22H27N5O3S
Molecular Weight441.56 g/mol
Exact Mass441.18
IUPAC Name5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine
SMILESCC(C)c1nn(-c2ccccc2)cc1CNc1ccc(S(=O)(=O)N2CCOCC2)cn1
InChIInChI=1S/C22H27N5O3S/c1-17(2)22-18(16-27(25-22)19-6-4-3-5-7-19)14-23-21-9-8-20(15-24-21)31(28,29)26-10-12-30-13-11-26/h3-9,15-17H,10-14H2,1-2H3,(H,23,24)
InChIKeyAJEHCEIQOFDIDN-UHFFFAOYSA-N
XLogP3.02
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,N-dimethyl-3-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]pyridin-2-amine
CID 55827227
5-morpholin-4-ylsulfonyl-N-[(1R)-1-phenylethyl]pyridin-2-amine
CID 9211241
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 17401125
5-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]pyridin-2-amine
CID 9107195
4-[[6-[(1,3-diphenylpyrazol-4-yl)methylsulfanyl]-3-pyridinyl]sulfonyl]morpholine
CID 17427652
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
1-(2-methoxyphenyl)-N,N-dimethyl-N'-(5-morpholin-4-ylsulfonyl-2-pyridinyl)ethane-1,2-diamine
CID 55346754
5-morpholin-4-ylsulfonyl-N-[(1-phenylcyclobutyl)methyl]pyridin-2-amine
CID 47018135
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133380218
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133406165

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine?
The IUPAC name of 5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine (CID 133380160) is 5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine is CC(C)c1nn(-c2ccccc2)cc1CNc1ccc(S(=O)(=O)N2CCOCC2)cn1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine?
The InChIKey is AJEHCEIQOFDIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3S/c1-17(2)22-18(16-27(25-22)19-6-4-3-5-7-19)14-23-21-9-8-20(15-24-21)31(28,29)26-10-12-30-13-11-26/h3-9,15-17H,10-14H2,1-2H3,(H,23,24).
What are the key properties of 5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine?
5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine has a molecular weight of 441.56 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-N-[(1-phenyl-3-propan-2-ylpyrazol-4-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 133380160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).