3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine

C23H17ClF3N7 — CID 71199853

IUPAC3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
SMILESFc1cnc(N2CCN(c3cnc(-c4ccc(F)cc4F)c(-c4ccncc4Cl)n3)CC2)nc1
InChIInChI=1S/C23H17ClF3N7/c24-18-12-28-4-3-16(18)22-21(17-2-1-14(25)9-19(17)27)29-13-20(32-22)33-5-7-34(8-6-33)23-30-10-15(26)11-31-23/h1-4,9-13H,5-8H2
InChIKeyIIXDFDREVDRQAP-UHFFFAOYSA-N
MW483.89 g/mol
LogP4.39
Rot. Bonds4

About 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine

3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine (PubChem CID 71199853) has the molecular formula C23H17ClF3N7 and a molecular weight of 483.89 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
PubChem CID71199853
Molecular FormulaC23H17ClF3N7
Molecular Weight483.89 g/mol
Exact Mass483.12
IUPAC Name3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
SMILESFc1cnc(N2CCN(c3cnc(-c4ccc(F)cc4F)c(-c4ccncc4Cl)n3)CC2)nc1
InChIInChI=1S/C23H17ClF3N7/c24-18-12-28-4-3-16(18)22-21(17-2-1-14(25)9-19(17)27)29-13-20(32-22)33-5-7-34(8-6-33)23-30-10-15(26)11-31-23/h1-4,9-13H,5-8H2
InChIKeyIIXDFDREVDRQAP-UHFFFAOYSA-N
XLogP4.39
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.89
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine (CID 71199853) is 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine is Fc1cnc(N2CCN(c3cnc(-c4ccc(F)cc4F)c(-c4ccncc4Cl)n3)CC2)nc1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine?
The InChIKey is IIXDFDREVDRQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N7/c24-18-12-28-4-3-16(18)22-21(17-2-1-14(25)9-19(17)27)29-13-20(32-22)33-5-7-34(8-6-33)23-30-10-15(26)11-31-23/h1-4,9-13H,5-8H2.
What are the key properties of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine?
3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine has a molecular weight of 483.89 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 71199853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).