7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine

C16H10Cl2F4N4 — CID 173488325

IUPAC7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine
SMILESC[C@@H](Nc1c(-c2ccc(Cl)cc2Cl)c(F)nc2nccnc12)C(F)(F)F
InChIInChI=1S/C16H10Cl2F4N4/c1-7(16(20,21)22)25-12-11(9-3-2-8(17)6-10(9)18)14(19)26-15-13(12)23-4-5-24-15/h2-7H,1H3,(H,24,25,26)/t7-/m1/s1
InChIKeyHZFRQRBGULRXHK-SSDOTTSWSA-N
MW405.18 g/mol
LogP5.50
Rot. Bonds3

About 7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine

7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 173488325) has the molecular formula C16H10Cl2F4N4 and a molecular weight of 405.18 g/mol. Its IUPAC name is 7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound Name7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID173488325
Molecular FormulaC16H10Cl2F4N4
Molecular Weight405.18 g/mol
Exact Mass404.02
IUPAC Name7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine
SMILESC[C@@H](Nc1c(-c2ccc(Cl)cc2Cl)c(F)nc2nccnc12)C(F)(F)F
InChIInChI=1S/C16H10Cl2F4N4/c1-7(16(20,21)22)25-12-11(9-3-2-8(17)6-10(9)18)14(19)26-15-13(12)23-4-5-24-15/h2-7H,1H3,(H,24,25,26)/t7-/m1/s1
InChIKeyHZFRQRBGULRXHK-SSDOTTSWSA-N
XLogP5.50
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.18
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine
CID 59868634
N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine
CID 59769248
5-chloro-N-(1,1,1-trifluoropropan-2-yl)pyrimidin-2-amine
CID 130949799
2-(2,4-dichlorophenyl)-4-fluoro-5-(trifluoromethyl)pyridine
CID 118847434
(2S,3S)-3-(2,4-dichlorophenyl)-1,1,1-trifluoro-2-quinolin-8-ylbutan-2-ol
CID 67023694
2-chloro-4-(2,4-dichlorophenyl)pyrimidine
CID 11086481
2-(2,4-dichlorophenyl)-3-fluoro-6-(trifluoromethyl)pyridine
CID 118836217
5-chloro-6-(2-chloro-4-fluorophenyl)-3-(methoxymethyl)-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58949550
4-(2,4-dichlorophenyl)-2-N-(3-methylbutan-2-yl)pyridine-2,3-diamine
CID 62705479
6-chloro-2-pyridin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11293409
6-chloro-2-pyrazin-2-yl-5-(2,4,6-trifluorophenyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]pyrimidin-4-amine
CID 11281927
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

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of 7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine (CID 173488325) is 7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for 7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for 7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine is C[C@@H](Nc1c(-c2ccc(Cl)cc2Cl)c(F)nc2nccnc12)C(F)(F)F.
What is the InChIKey of 7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is HZFRQRBGULRXHK-SSDOTTSWSA-N. The full InChI is InChI=1S/C16H10Cl2F4N4/c1-7(16(20,21)22)25-12-11(9-3-2-8(17)6-10(9)18)14(19)26-15-13(12)23-4-5-24-15/h2-7H,1H3,(H,24,25,26)/t7-/m1/s1.
What are the key properties of 7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine?
7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 405.18 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 173488325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).