2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine

C19H14Cl2F2N4 — CID 170793964

IUPAC2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine
SMILESFc1ccc(C=C2CCN(c3nc4cnc(Cl)cc4nc3Cl)CC2)c(F)c1
InChIInChI=1S/C19H14Cl2F2N4/c20-17-9-15-16(10-24-17)26-19(18(21)25-15)27-5-3-11(4-6-27)7-12-1-2-13(22)8-14(12)23/h1-2,7-10H,3-6H2
InChIKeyFYTYAXCPBDQXFT-UHFFFAOYSA-N
MW407.25 g/mol
LogP5.29
Rot. Bonds2

About 2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine

2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine (PubChem CID 170793964) has the molecular formula C19H14Cl2F2N4 and a molecular weight of 407.25 g/mol. Its IUPAC name is 2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine
PubChem CID170793964
Molecular FormulaC19H14Cl2F2N4
Molecular Weight407.25 g/mol
Exact Mass406.06
IUPAC Name2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine
SMILESFc1ccc(C=C2CCN(c3nc4cnc(Cl)cc4nc3Cl)CC2)c(F)c1
InChIInChI=1S/C19H14Cl2F2N4/c20-17-9-15-16(10-24-17)26-19(18(21)25-15)27-5-3-11(4-6-27)7-12-1-2-13(22)8-14(12)23/h1-2,7-10H,3-6H2
InChIKeyFYTYAXCPBDQXFT-UHFFFAOYSA-N
XLogP5.29
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.25
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-amino-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
CID 177191028
1-[2-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-3-[1-(fluoromethyl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-7-yl]-2-methylpropan-2-ol
CID 170793729
2-[1-(difluoromethyl)pyrazol-4-yl]-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]-7-(2-methylprop-1-enyl)pyrido[3,4-b]pyrazine
CID 170793893
2-chloro-6-fluoro-3-(4-methylpiperazin-1-yl)quinoxaline
CID 86039288
3-chloro-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-7-methylpyrido[3,4-b]pyrazine
CID 118310232
7-chloro-N-cyclopropyl-3-[4-[(S)-(2,4-difluorophenyl)-fluoromethyl]piperidin-1-yl]pyrido[3,4-b]pyrazin-2-amine;2,2,2-trifluoroacetic acid
CID 127024110
2,4-difluoro-1-[(4-propan-2-ylcyclohexylidene)methyl]benzene
CID 21025451
6-chloro-N-[(E)-(2,4-difluorophenyl)methylideneamino]-5-pyrrolidin-1-ylpyridazin-3-amine
CID 22609938
2,3-bis[4-(2,4-difluorophenyl)piperazin-1-yl]-6-nitroquinoxaline
CID 53363933
1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
CID 178070842
[4-(3-chloro-7-fluoro-6-methylquinoxalin-2-yl)piperazin-1-yl]-methylborinic acid
CID 58475590
4-chloro-2-[(E)-2-(2,4-difluorophenyl)ethenyl]-6-methylpyrimidine
CID 18763622

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine?
The IUPAC name of 2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine (CID 170793964) is 2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine.
What is the SMILES notation for 2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine?
The canonical SMILES for 2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine is Fc1ccc(C=C2CCN(c3nc4cnc(Cl)cc4nc3Cl)CC2)c(F)c1.
What is the InChIKey of 2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine?
The InChIKey is FYTYAXCPBDQXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2F2N4/c20-17-9-15-16(10-24-17)26-19(18(21)25-15)27-5-3-11(4-6-27)7-12-1-2-13(22)8-14(12)23/h1-2,7-10H,3-6H2.
What are the key properties of 2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine?
2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine has a molecular weight of 407.25 g/mol, XLogP of 5.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dichloro-3-[4-[(2,4-difluorophenyl)methylidene]piperidin-1-yl]pyrido[3,4-b]pyrazine is sourced from PubChem (CID 170793964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).