N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine

C23H18ClF3N4 — CID 59868634

IUPACN-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCC(C)Nc1c(-c2c(F)cc(-c3ccc(F)cc3)cc2F)c(Cl)nc2nccnc12
InChIInChI=1S/C23H18ClF3N4/c1-3-12(2)30-20-19(22(24)31-23-21(20)28-8-9-29-23)18-16(26)10-14(11-17(18)27)13-4-6-15(25)7-5-13/h4-12H,3H2,1-2H3,(H,29,30,31)
InChIKeyCVOKQALSNSTRKC-UHFFFAOYSA-N
MW442.87 g/mol
LogP6.64
Rot. Bonds5

About N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine

N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine (PubChem CID 59868634) has the molecular formula C23H18ClF3N4 and a molecular weight of 442.87 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine
PubChem CID59868634
Molecular FormulaC23H18ClF3N4
Molecular Weight442.87 g/mol
Exact Mass442.12
IUPAC NameN-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine
SMILESCCC(C)Nc1c(-c2c(F)cc(-c3ccc(F)cc3)cc2F)c(Cl)nc2nccnc12
InChIInChI=1S/C23H18ClF3N4/c1-3-12(2)30-20-19(22(24)31-23-21(20)28-8-9-29-23)18-16(26)10-14(11-17(18)27)13-4-6-15(25)7-5-13/h4-12H,3H2,1-2H3,(H,29,30,31)
InChIKeyCVOKQALSNSTRKC-UHFFFAOYSA-N
XLogP6.64
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.87
LogP ≤ 56.64
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-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine
CID 59769248
7-(2,4-dichlorophenyl)-6-fluoro-N-[(2R)-1,1,1-trifluoropropan-2-yl]pyrido[2,3-b]pyrazin-8-amine
CID 173488325
6-(butan-2-ylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82170035
1-[4-(butan-2-ylamino)-6-chloro-5-(2,4,6-trifluorophenyl)pyrimidin-2-yl]pyrazolidin-3-one
CID 25145602
N-butan-2-yl-2,3,5,6-tetrafluoroaniline
CID 107644089
4,6-dichloro-2-ethyl-5-(4-fluorophenyl)pyrimidine
CID 79437703
2-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-1-ol dichloride
CID 56946960
2-chloro-N-[1-(4-fluorophenyl)propan-2-yl]-4-methylpyridin-3-amine
CID 114830017
2-[[4-[3-(4-fluorophenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]amino]propan-1-ol;hydrochloride
CID 172873220
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
N-butan-2-yl-4-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112883711

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine (CID 59868634) is N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine is CCC(C)Nc1c(-c2c(F)cc(-c3ccc(F)cc3)cc2F)c(Cl)nc2nccnc12.
What is the InChIKey of N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is CVOKQALSNSTRKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N4/c1-3-12(2)30-20-19(22(24)31-23-21(20)28-8-9-29-23)18-16(26)10-14(11-17(18)27)13-4-6-15(25)7-5-13/h4-12H,3H2,1-2H3,(H,29,30,31).
What are the key properties of N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine?
N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 442.87 g/mol, XLogP of 6.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-chloro-7-[2,6-difluoro-4-(4-fluorophenyl)phenyl]pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 59868634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).