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

C17H15Cl2FN4 — CID 59769248

IUPACN-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine
SMILESCCC(C)Nc1c(-c2c(F)cccc2Cl)c(Cl)nc2nccnc12
InChIInChI=1S/C17H15Cl2FN4/c1-3-9(2)23-14-13(12-10(18)5-4-6-11(12)20)16(19)24-17-15(14)21-7-8-22-17/h4-9H,3H2,1-2H3,(H,22,23,24)
InChIKeyZJJBMUOUOVVOAE-UHFFFAOYSA-N
MW365.24 g/mol
LogP5.35
Rot. Bonds4

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

N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine (PubChem CID 59769248) has the molecular formula C17H15Cl2FN4 and a molecular weight of 365.24 g/mol. Its IUPAC name is N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine
PubChem CID59769248
Molecular FormulaC17H15Cl2FN4
Molecular Weight365.24 g/mol
Exact Mass364.07
IUPAC NameN-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine
SMILESCCC(C)Nc1c(-c2c(F)cccc2Cl)c(Cl)nc2nccnc12
InChIInChI=1S/C17H15Cl2FN4/c1-3-9(2)23-14-13(12-10(18)5-4-6-11(12)20)16(19)24-17-15(14)21-7-8-22-17/h4-9H,3H2,1-2H3,(H,22,23,24)
InChIKeyZJJBMUOUOVVOAE-UHFFFAOYSA-N
XLogP5.35
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.24
LogP ≤ 55.35
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
8-chloro-7-(2-chloro-6-fluorophenyl)-N-(1-methoxypropan-2-yl)pyrido[2,3-b]pyrazin-6-amine
CID 58706282
4-(butan-2-ylamino)-6-chloro-5-(2-chloro-6-fluorophenyl)pyrimidine-2-carbonitrile
CID 86612849
N-(1-but-1-en-2-yloxypropan-2-yl)-5-chloro-6-(2-chloro-6-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24967732
4-N-butan-2-yl-2-N-(2,6-difluorophenyl)-6-methylpyrimidine-2,4-diamine
CID 112909035
5-chloro-6-(2-chloro-6-fluorophenyl)-N-heptan-3-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 87732562
(2R)-N-[(2-chloro-6-fluorophenyl)methyl]butan-2-amine
CID 914011
2-chloro-3-(2-chloro-6-fluorophenyl)-N-(1-cyclopropylethyl)-6-pyridin-2-ylpyridin-4-amine
CID 59007738
5-chloro-6-(2-chloro-6-fluorophenyl)-7-ethoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 15540288
4-chloro-5-(2-chloro-6-fluorophenyl)-6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyrimidin-2-amine
CID 141126143
4-(2-chloro-6-fluorophenyl)-3-pentan-3-yl-1,2-oxazol-5-amine
CID 43335678
4-(butan-2-ylamino)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109203600

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine?
The IUPAC name of N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine (CID 59769248) is N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine.
What is the SMILES notation for N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine?
The canonical SMILES for N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine is CCC(C)Nc1c(-c2c(F)cccc2Cl)c(Cl)nc2nccnc12.
What is the InChIKey of N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine?
The InChIKey is ZJJBMUOUOVVOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN4/c1-3-9(2)23-14-13(12-10(18)5-4-6-11(12)20)16(19)24-17-15(14)21-7-8-22-17/h4-9H,3H2,1-2H3,(H,22,23,24).
What are the key properties of N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine?
N-butan-2-yl-6-chloro-7-(2-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine has a molecular weight of 365.24 g/mol, XLogP of 5.35, 4 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-chloro-6-fluorophenyl)pyrido[2,3-b]pyrazin-8-amine is sourced from PubChem (CID 59769248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).