4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine

C18H16ClFN4O — CID 157044800

IUPAC4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
SMILESCc1cnc2c(-c3ccc(Cl)cc3F)cc(N3CCOCC3)nc2n1
InChIInChI=1S/C18H16ClFN4O/c1-11-10-21-17-14(13-3-2-12(19)8-15(13)20)9-16(23-18(17)22-11)24-4-6-25-7-5-24/h2-3,8-10H,4-7H2,1H3
InChIKeyFCKWDZAIWNOCIE-UHFFFAOYSA-N
MW358.80 g/mol
LogP3.63
Rot. Bonds2

About 4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine

4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine (PubChem CID 157044800) has the molecular formula C18H16ClFN4O and a molecular weight of 358.80 g/mol. Its IUPAC name is 4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine.

Molecular Properties

Compound Name4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
PubChem CID157044800
Molecular FormulaC18H16ClFN4O
Molecular Weight358.80 g/mol
Exact Mass358.10
IUPAC Name4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
SMILESCc1cnc2c(-c3ccc(Cl)cc3F)cc(N3CCOCC3)nc2n1
InChIInChI=1S/C18H16ClFN4O/c1-11-10-21-17-14(13-3-2-12(19)8-15(13)20)9-16(23-18(17)22-11)24-4-6-25-7-5-24/h2-3,8-10H,4-7H2,1H3
InChIKeyFCKWDZAIWNOCIE-UHFFFAOYSA-N
XLogP3.63
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine?
The IUPAC name of 4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine (CID 157044800) is 4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine.
What is the SMILES notation for 4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine?
The canonical SMILES for 4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine is Cc1cnc2c(-c3ccc(Cl)cc3F)cc(N3CCOCC3)nc2n1.
What is the InChIKey of 4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine?
The InChIKey is FCKWDZAIWNOCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN4O/c1-11-10-21-17-14(13-3-2-12(19)8-15(13)20)9-16(23-18(17)22-11)24-4-6-25-7-5-24/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine?
4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine has a molecular weight of 358.80 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine is sourced from PubChem (CID 157044800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).