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

C23H18ClF2N7 — CID 71199852

IUPAC3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
SMILESFc1ccc(-c2ncc(N3CCN(c4ncc(F)cn4)CC3)nc2-c2ccncc2Cl)cc1
InChIInChI=1S/C23H18ClF2N7/c24-19-13-27-6-5-18(19)22-21(15-1-3-16(25)4-2-15)28-14-20(31-22)32-7-9-33(10-8-32)23-29-11-17(26)12-30-23/h1-6,11-14H,7-10H2
InChIKeyAGIHPJLQBNXIQK-UHFFFAOYSA-N
MW465.90 g/mol
LogP4.25
Rot. Bonds4

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

3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine (PubChem CID 71199852) has the molecular formula C23H18ClF2N7 and a molecular weight of 465.90 g/mol. Its IUPAC name is 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine.

Molecular Properties

Compound Name3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
PubChem CID71199852
Molecular FormulaC23H18ClF2N7
Molecular Weight465.90 g/mol
Exact Mass465.13
IUPAC Name3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine
SMILESFc1ccc(-c2ncc(N3CCN(c4ncc(F)cn4)CC3)nc2-c2ccncc2Cl)cc1
InChIInChI=1S/C23H18ClF2N7/c24-19-13-27-6-5-18(19)22-21(15-1-3-16(25)4-2-15)28-14-20(31-22)32-7-9-33(10-8-32)23-29-11-17(26)12-30-23/h1-6,11-14H,7-10H2
InChIKeyAGIHPJLQBNXIQK-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-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine?
The IUPAC name of 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine (CID 71199852) is 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine.
What is the SMILES notation for 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine?
The canonical SMILES for 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine is Fc1ccc(-c2ncc(N3CCN(c4ncc(F)cn4)CC3)nc2-c2ccncc2Cl)cc1.
What is the InChIKey of 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine?
The InChIKey is AGIHPJLQBNXIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N7/c24-19-13-27-6-5-18(19)22-21(15-1-3-16(25)4-2-15)28-14-20(31-22)32-7-9-33(10-8-32)23-29-11-17(26)12-30-23/h1-6,11-14H,7-10H2.
What are the key properties of 3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine?
3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-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-(4-fluorophenyl)-5-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]pyrazine is sourced from PubChem (CID 71199852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).