4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine

C19H20FN5O3S — CID 110244159

IUPAC4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
SMILESCc1ccc(F)c(S(=O)(=O)N2CCOC(c3[nH]ncc3-c3ccnc(N)c3)C2)c1
InChIInChI=1S/C19H20FN5O3S/c1-12-2-3-15(20)17(8-12)29(26,27)25-6-7-28-16(11-25)19-14(10-23-24-19)13-4-5-22-18(21)9-13/h2-5,8-10,16H,6-7,11H2,1H3,(H2,21,22)(H,23,24)
InChIKeyCLZZIYXAMAXRPW-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.26
Rot. Bonds4

About 4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine

4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine (PubChem CID 110244159) has the molecular formula C19H20FN5O3S and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
PubChem CID110244159
Molecular FormulaC19H20FN5O3S
Molecular Weight417.47 g/mol
Exact Mass417.13
IUPAC Name4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
SMILESCc1ccc(F)c(S(=O)(=O)N2CCOC(c3[nH]ncc3-c3ccnc(N)c3)C2)c1
InChIInChI=1S/C19H20FN5O3S/c1-12-2-3-15(20)17(8-12)29(26,27)25-6-7-28-16(11-25)19-14(10-23-24-19)13-4-5-22-18(21)9-13/h2-5,8-10,16H,6-7,11H2,1H3,(H2,21,22)(H,23,24)
InChIKeyCLZZIYXAMAXRPW-UHFFFAOYSA-N
XLogP2.26
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-[(2S)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
CID 95851634
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
(4aS,8aS)-6-(2-fluoro-5-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129482096
(4aS,8aR)-6-(2-fluoro-5-methylphenyl)sulfonyl-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 129482098
4-(2-fluorophenyl)sulfonyl-2-pyrazin-2-ylmorpholine
CID 127246296
1-(2-fluoro-5-methylphenyl)sulfonyl-N-methylpiperidin-3-amine
CID 62535415
1-(2-fluoro-5-methylphenyl)sulfonylazetidin-3-ol
CID 63105517
2-(2-fluorophenyl)-4-(3-methylphenyl)sulfonylmorpholine
CID 110326724
4-methyl-2-[(2S)-4-(4-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrimidin-6-one
CID 137166559
2-methyl-6-[(2R)-4-pyridin-3-ylsulfonylmorpholin-2-yl]pyrimidin-4-amine
CID 95847668
4-(3-fluorophenyl)sulfonyl-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 110105191
4-(2-methylphenyl)sulfonyl-2-(4-methylpyrimidin-2-yl)morpholine
CID 110115458

Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine (CID 110244159) is 4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine is Cc1ccc(F)c(S(=O)(=O)N2CCOC(c3[nH]ncc3-c3ccnc(N)c3)C2)c1.
What is the InChIKey of 4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
The InChIKey is CLZZIYXAMAXRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3S/c1-12-2-3-15(20)17(8-12)29(26,27)25-6-7-28-16(11-25)19-14(10-23-24-19)13-4-5-22-18(21)9-13/h2-5,8-10,16H,6-7,11H2,1H3,(H2,21,22)(H,23,24).
What are the key properties of 4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine has a molecular weight of 417.47 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-(2-fluoro-5-methylphenyl)sulfonylmorpholin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 110244159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).