7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine

C17H17Cl2F4N5 — CID 143518943

IUPAC7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine
SMILESCC(C)[C@H](Nc1c2c(nc(F)c1-c1ncc(Cl)cc1Cl)NCCN2)C(F)(F)F
InChIInChI=1S/C17H17Cl2F4N5/c1-7(2)14(17(21,22)23)27-12-10(11-9(19)5-8(18)6-26-11)15(20)28-16-13(12)24-3-4-25-16/h5-7,14,24H,3-4H2,1-2H3,(H2,25,27,28)/t14-/m0/s1
InChIKeyMREUCIIHDIQFIE-AWEZNQCLSA-N
MW438.26 g/mol
LogP5.43
Rot. Bonds4

About 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine

7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine (PubChem CID 143518943) has the molecular formula C17H17Cl2F4N5 and a molecular weight of 438.26 g/mol. Its IUPAC name is 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine
PubChem CID143518943
Molecular FormulaC17H17Cl2F4N5
Molecular Weight438.26 g/mol
Exact Mass437.08
IUPAC Name7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine
SMILESCC(C)[C@H](Nc1c2c(nc(F)c1-c1ncc(Cl)cc1Cl)NCCN2)C(F)(F)F
InChIInChI=1S/C17H17Cl2F4N5/c1-7(2)14(17(21,22)23)27-12-10(11-9(19)5-8(18)6-26-11)15(20)28-16-13(12)24-3-4-25-16/h5-7,14,24H,3-4H2,1-2H3,(H2,25,27,28)/t14-/m0/s1
InChIKeyMREUCIIHDIQFIE-AWEZNQCLSA-N
XLogP5.43
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.26
LogP ≤ 55.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine with MolForge

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Related Compounds

N-(1-cyclopropylethyl)-7-(3,5-dichloro-2-pyridinyl)-6-fluoro-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine
CID 69404128
7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine
CID 173488325
2,4,6-trichloro-N-(1-pyridin-4-ylethyl)aniline
CID 43126484
(1R)-1-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901729
3,5-dichloro-N-(1-pyridin-4-ylethyl)pyridin-2-amine
CID 43395999
5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
CID 130949799
5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79779927
2-(3,5-dichloro-2-pyridinyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 79780012
5-(bromomethyl)-2-(3,5-dichloro-2-pyridinyl)-4-(difluoromethyl)pyrimidine
CID 114205871
3-[3-(3,5-dichloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-one
CID 79780846
5-chloro-2-(3,5-dichlorophenyl)-3-fluoropyridine
CID 133090435
N-[(1R)-1-(3,5-dichloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-methylpropane-2-sulfinamide
CID 155338823

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine (CID 143518943) is 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine is CC(C)[C@H](Nc1c2c(nc(F)c1-c1ncc(Cl)cc1Cl)NCCN2)C(F)(F)F.
What is the InChIKey of 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine?
The InChIKey is MREUCIIHDIQFIE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H17Cl2F4N5/c1-7(2)14(17(21,22)23)27-12-10(11-9(19)5-8(18)6-26-11)15(20)28-16-13(12)24-3-4-25-16/h5-7,14,24H,3-4H2,1-2H3,(H2,25,27,28)/t14-/m0/s1.
What are the key properties of 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine?
7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine has a molecular weight of 438.26 g/mol, XLogP of 5.43, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,5-dichloro-2-pyridinyl)-6-fluoro-N-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 143518943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).