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

C25H19ClF2N6O — CID 71199809

IUPAC[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C25H19ClF2N6O/c26-19-14-29-8-6-17(19)24-23(18-5-4-16(27)13-20(18)28)31-15-22(32-24)33-9-11-34(12-10-33)25(35)21-3-1-2-7-30-21/h1-8,13-15H,9-12H2
InChIKeySXPOKOIFWSRJCM-UHFFFAOYSA-N
MW492.92 g/mol
LogP4.49
Rot. Bonds4

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

[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 71199809) has the molecular formula C25H19ClF2N6O and a molecular weight of 492.92 g/mol. Its IUPAC name is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID71199809
Molecular FormulaC25H19ClF2N6O
Molecular Weight492.92 g/mol
Exact Mass492.13
IUPAC Name[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CCN(c2cnc(-c3ccc(F)cc3F)c(-c3ccncc3Cl)n2)CC1
InChIInChI=1S/C25H19ClF2N6O/c26-19-14-29-8-6-17(19)24-23(18-5-4-16(27)13-20(18)28)31-15-22(32-24)33-9-11-34(12-10-33)25(35)21-3-1-2-7-30-21/h1-8,13-15H,9-12H2
InChIKeySXPOKOIFWSRJCM-UHFFFAOYSA-N
XLogP4.49
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.92
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 470666
CID 470666
CID 470758
CID 470758
CID 46901544
CID 46901544
CID 470763
CID 470763
CID 44576717
CID 44576717
CID 3839471
CID 3839471
CID 46229849
CID 46229849
CID 57390764
CID 57390764
CID 57394299
CID 57394299
CID 57396055
CID 57396055
CID 57399515
CID 57399515
CID 66836490
CID 66836490

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]-pyridin-2-ylmethanone?
The IUPAC name of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone (CID 71199809) is [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)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]-pyridin-2-ylmethanone?
The InChIKey is SXPOKOIFWSRJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClF2N6O/c26-19-14-29-8-6-17(19)24-23(18-5-4-16(27)13-20(18)28)31-15-22(32-24)33-9-11-34(12-10-33)25(35)21-3-1-2-7-30-21/h1-8,13-15H,9-12H2.
What are the key properties of [4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone?
[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 492.92 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 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]-pyridin-2-ylmethanone is sourced from PubChem (CID 71199809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).