[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone

C24H18ClF2N7O — CID 71199905

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C24H18ClF2N7O/c25-18-12-28-4-3-16(18)23-22(17-2-1-15(26)11-19(17)27)31-14-21(32-23)33-7-9-34(10-8-33)24(35)20-13-29-5-6-30-20/h1-6,11-14H,7-10H2
InChIKeyRCPRLVRELDEHNS-UHFFFAOYSA-N
MW493.91 g/mol
LogP3.89
Rot. Bonds4

About [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone

[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 71199905) has the molecular formula C24H18ClF2N7O and a molecular weight of 493.91 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone
PubChem CID71199905
Molecular FormulaC24H18ClF2N7O
Molecular Weight493.91 g/mol
Exact Mass493.12
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone
SMILESO=C(c1cnccn1)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C24H18ClF2N7O/c25-18-12-28-4-3-16(18)23-22(17-2-1-15(26)11-19(17)27)31-14-21(32-23)33-7-9-34(10-8-33)24(35)20-13-29-5-6-30-20/h1-6,11-14H,7-10H2
InChIKeyRCPRLVRELDEHNS-UHFFFAOYSA-N
XLogP3.89
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.91
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone (CID 71199905) is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone is O=C(c1cnccn1)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1.
What is the InChIKey of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is RCPRLVRELDEHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2N7O/c25-18-12-28-4-3-16(18)23-22(17-2-1-15(26)11-19(17)27)31-14-21(32-23)33-7-9-34(10-8-33)24(35)20-13-29-5-6-30-20/h1-6,11-14H,7-10H2.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 493.91 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 71199905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).