3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine

C23H18ClF2N7 — CID 71200320

IUPAC3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine
SMILESFc1ccc(-c2ncc(N3CCN(c4cnccn4)CC3)nc2-c2ccncc2Cl)c(F)c1
InChIInChI=1S/C23H18ClF2N7/c24-18-12-27-4-3-16(18)23-22(17-2-1-15(25)11-19(17)26)30-14-21(31-23)33-9-7-32(8-10-33)20-13-28-5-6-29-20/h1-6,11-14H,7-10H2
InChIKeyAODQSYRRCRFFNO-UHFFFAOYSA-N
MW465.90 g/mol
LogP4.25
Rot. Bonds4

About 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine

3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine (PubChem CID 71200320) has the molecular formula C23H18ClF2N7 and a molecular weight of 465.90 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine
PubChem CID71200320
Molecular FormulaC23H18ClF2N7
Molecular Weight465.90 g/mol
Exact Mass465.13
IUPAC Name3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine
SMILESFc1ccc(-c2ncc(N3CCN(c4cnccn4)CC3)nc2-c2ccncc2Cl)c(F)c1
InChIInChI=1S/C23H18ClF2N7/c24-18-12-27-4-3-16(18)23-22(17-2-1-15(25)11-19(17)26)30-14-21(31-23)33-9-7-32(8-10-33)20-13-28-5-6-29-20/h1-6,11-14H,7-10H2
InChIKeyAODQSYRRCRFFNO-UHFFFAOYSA-N
XLogP4.25
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.90
LogP ≤ 54.25
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-pyrazin-2-ylpiperazin-1-yl)pyrazine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine (CID 71200320) is 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine is Fc1ccc(-c2ncc(N3CCN(c4cnccn4)CC3)nc2-c2ccncc2Cl)c(F)c1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine?
The InChIKey is AODQSYRRCRFFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N7/c24-18-12-27-4-3-16(18)23-22(17-2-1-15(25)11-19(17)26)30-14-21(31-23)33-9-7-32(8-10-33)20-13-28-5-6-29-20/h1-6,11-14H,7-10H2.
What are the key properties of 3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine?
3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-pyrazin-2-ylpiperazin-1-yl)pyrazine has a molecular weight of 465.90 g/mol, XLogP of 4.25, 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-pyrazin-2-ylpiperazin-1-yl)pyrazine is sourced from PubChem (CID 71200320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).