5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine

C18H20N6O3S — CID 55627000

IUPAC5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2ccnc(-n3cccn3)c2)nc1)N1CCOCC1
InChIInChI=1S/C18H20N6O3S/c25-28(26,23-8-10-27-11-9-23)16-2-3-17(21-14-16)20-13-15-4-6-19-18(12-15)24-7-1-5-22-24/h1-7,12,14H,8-11,13H2,(H,20,21)
InChIKeySEBZLWTVFPZUDA-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.30
Rot. Bonds6

About 5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine

5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine (PubChem CID 55627000) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine
PubChem CID55627000
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC Name5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2ccnc(-n3cccn3)c2)nc1)N1CCOCC1
InChIInChI=1S/C18H20N6O3S/c25-28(26,23-8-10-27-11-9-23)16-2-3-17(21-14-16)20-13-15-4-6-19-18(12-15)24-7-1-5-22-24/h1-7,12,14H,8-11,13H2,(H,20,21)
InChIKeySEBZLWTVFPZUDA-UHFFFAOYSA-N
XLogP1.30
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine with MolForge

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Related Compounds

N-[[2-(dimethylamino)-4-pyridinyl]methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 55638539
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
methyl 2-methoxy-5-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]benzoate
CID 9112932
N-[(2-methoxy-4-pyridinyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 24632061
5-morpholin-4-ylsulfonyl-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]pyridin-2-amine
CID 55829884
N,N-dimethyl-3-[[(5-morpholin-4-ylsulfonyl-2-pyridinyl)amino]methyl]pyridin-2-amine
CID 55827227
1-(4-morpholin-4-ylphenyl)-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]methanamine
CID 51086139
N-benzyl-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 5268156
N-butyl-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 5268046
4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039470
N-[(3,5-dimethylpyrazolidin-4-yl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 133306070
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-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine?
The IUPAC name of 5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine (CID 55627000) is 5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine is O=S(=O)(c1ccc(NCc2ccnc(-n3cccn3)c2)nc1)N1CCOCC1.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine?
The InChIKey is SEBZLWTVFPZUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c25-28(26,23-8-10-27-11-9-23)16-2-3-17(21-14-16)20-13-15-4-6-19-18(12-15)24-7-1-5-22-24/h1-7,12,14H,8-11,13H2,(H,20,21).
What are the key properties of 5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine?
5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine has a molecular weight of 400.46 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylsulfonyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]pyridin-2-amine is sourced from PubChem (CID 55627000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).