[5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone

C17H16F5N7O — CID 129152980

IUPAC[5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone
SMILESCC1C(N)=C(N(N)c2ncc(F)cn2)CCN1C(=O)c1ccnc(C(F)(F)F)c1F
InChIInChI=1S/C17H16F5N7O/c1-8-13(23)11(29(24)16-26-6-9(18)7-27-16)3-5-28(8)15(30)10-2-4-25-14(12(10)19)17(20,21)22/h2,4,6-8H,3,5,23-24H2,1H3
InChIKeyGDHIWTAXLRXHQI-UHFFFAOYSA-N
MW429.35 g/mol
LogP1.95
Rot. Bonds3

About [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone

[5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone (PubChem CID 129152980) has the molecular formula C17H16F5N7O and a molecular weight of 429.35 g/mol. Its IUPAC name is [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name[5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone
PubChem CID129152980
Molecular FormulaC17H16F5N7O
Molecular Weight429.35 g/mol
Exact Mass429.13
IUPAC Name[5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone
SMILESCC1C(N)=C(N(N)c2ncc(F)cn2)CCN1C(=O)c1ccnc(C(F)(F)F)c1F
InChIInChI=1S/C17H16F5N7O/c1-8-13(23)11(29(24)16-26-6-9(18)7-27-16)3-5-28(8)15(30)10-2-4-25-14(12(10)19)17(20,21)22/h2,4,6-8H,3,5,23-24H2,1H3
InChIKeyGDHIWTAXLRXHQI-UHFFFAOYSA-N
XLogP1.95
TPSA114.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 129152854
[5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 129152857
[5-amino-4-[amino(1,3-oxazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[2-chloro-3-(trifluoromethyl)phenyl]methanone
CID 129153138
[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[(6S)-5-hydrazinyl-6-methyl-4-[(1-propan-2-ylpyrazol-3-yl)amino]-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 144720460
[5-amino-4-[amino-(5-fluoro-4-methyl-2-pyridinyl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[4-chloro-3-(trifluoromethyl)phenyl]methanone
CID 129153161
[5-amino-4-[amino-(5-fluoro-4-methyl-2-pyridinyl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-chloro-5-(trifluoromethyl)phenyl]methanone
CID 129152942
[5-amino-4-[amino(1H-imidazol-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-(2,3-dichlorophenyl)methanone
CID 129152966
[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-[4-(3-propan-2-ylazetidin-1-yl)piperidin-1-yl]methanone
CID 171409025
4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 105386764
(2-amino-3-fluoro-4-pyridinyl)-(2-propan-2-ylpyrrolidin-1-yl)methanone
CID 105386742
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]propan-1-one
CID 161227421
1-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]-2-methylbutan-1-one
CID 142587135

Frequently Asked Questions

What is the IUPAC name of [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone?
The IUPAC name of [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone (CID 129152980) is [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone.
What is the SMILES notation for [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone?
The canonical SMILES for [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone is CC1C(N)=C(N(N)c2ncc(F)cn2)CCN1C(=O)c1ccnc(C(F)(F)F)c1F.
What is the InChIKey of [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone?
The InChIKey is GDHIWTAXLRXHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F5N7O/c1-8-13(23)11(29(24)16-26-6-9(18)7-27-16)3-5-28(8)15(30)10-2-4-25-14(12(10)19)17(20,21)22/h2,4,6-8H,3,5,23-24H2,1H3.
What are the key properties of [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone?
[5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone has a molecular weight of 429.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-4-[amino-(5-fluoropyrimidin-2-yl)amino]-6-methyl-3,6-dihydro-2H-pyridin-1-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone is sourced from PubChem (CID 129152980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).