5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine

C19H21F3N4O3S — CID 121428513

IUPAC5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)c2)CC1
InChIInChI=1S/C19H21F3N4O3S/c1-30(27,28)18(2-3-18)12-8-15(25-17(9-12)26-4-6-29-7-5-26)13-11-24-16(23)10-14(13)19(20,21)22/h8-11H,2-7H2,1H3,(H2,23,24)
InChIKeyKALVIZOCGPLYRK-UHFFFAOYSA-N
MW442.46 g/mol
LogP2.61
Rot. Bonds4

About 5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine

5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 121428513) has the molecular formula C19H21F3N4O3S and a molecular weight of 442.46 g/mol. Its IUPAC name is 5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine
PubChem CID121428513
Molecular FormulaC19H21F3N4O3S
Molecular Weight442.46 g/mol
Exact Mass442.13
IUPAC Name5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)c2)CC1
InChIInChI=1S/C19H21F3N4O3S/c1-30(27,28)18(2-3-18)12-8-15(25-17(9-12)26-4-6-29-7-5-26)13-11-24-16(23)10-14(13)19(20,21)22/h8-11H,2-7H2,1H3,(H2,23,24)
InChIKeyKALVIZOCGPLYRK-UHFFFAOYSA-N
XLogP2.61
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;methane
CID 144743484
5-[2-[(3S)-3-methylmorpholin-4-yl]-6-(1-methylsulfonylcyclopropyl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428489
5-[6-[fluoro(methylsulfonyl)methyl]-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428442
5-[6-(1-methylcyclopropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428557
5-[6-(2-methyl-1-methylsulfonylpropyl)-2-morpholin-4-ylpyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 121428563
5-(6-tert-butyl-2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 145100358
4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-morpholin-4-yl-N-phenylpyrimidin-2-amine
CID 174707827
5-[4-(4-methylsulfonylpiperazin-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 58508292
5-(2-morpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 59507833
2-[6-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-2-morpholin-4-ylpyrimidin-4-yl]-N-tert-butylbenzenesulfonamide
CID 59507814
5-[2,6-bis(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 162533300
5-(2,6-dimorpholin-4-ylpyrimidin-4-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
CID 151222565

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine (CID 121428513) is 5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)C1(c2cc(-c3cnc(N)cc3C(F)(F)F)nc(N3CCOCC3)c2)CC1.
What is the InChIKey of 5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KALVIZOCGPLYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3S/c1-30(27,28)18(2-3-18)12-8-15(25-17(9-12)26-4-6-29-7-5-26)13-11-24-16(23)10-14(13)19(20,21)22/h8-11H,2-7H2,1H3,(H2,23,24).
What are the key properties of 5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine?
5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 442.46 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-methylsulfonylcyclopropyl)-6-morpholin-4-yl-2-pyridinyl]-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 121428513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).