2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide

C20H11Cl2F4N5O — CID 130423608

IUPAC2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2cnc3[nH]cc(Cl)c3n2)cc1F)Nc1cnc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H11Cl2F4N5O/c21-13-7-28-19-17(13)31-15(8-29-19)10-2-1-9(14(23)3-10)4-16(32)30-11-5-12(20(24,25)26)18(22)27-6-11/h1-3,5-8H,4H2,(H,28,29)(H,30,32)
InChIKeyMNODVPJVROJAMI-UHFFFAOYSA-N
MW484.24 g/mol
LogP5.67
Rot. Bonds4

About 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130423608) has the molecular formula C20H11Cl2F4N5O and a molecular weight of 484.24 g/mol. Its IUPAC name is 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID130423608
Molecular FormulaC20H11Cl2F4N5O
Molecular Weight484.24 g/mol
Exact Mass483.03
IUPAC Name2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESO=C(Cc1ccc(-c2cnc3[nH]cc(Cl)c3n2)cc1F)Nc1cnc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H11Cl2F4N5O/c21-13-7-28-19-17(13)31-15(8-29-19)10-2-1-9(14(23)3-10)4-16(32)30-11-5-12(20(24,25)26)18(22)27-6-11/h1-3,5-8H,4H2,(H,28,29)(H,30,32)
InChIKeyMNODVPJVROJAMI-UHFFFAOYSA-N
XLogP5.67
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.24
LogP ≤ 55.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130423608) is 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide is O=C(Cc1ccc(-c2cnc3[nH]cc(Cl)c3n2)cc1F)Nc1cnc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is MNODVPJVROJAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2F4N5O/c21-13-7-28-19-17(13)31-15(8-29-19)10-2-1-9(14(23)3-10)4-16(32)30-11-5-12(20(24,25)26)18(22)27-6-11/h1-3,5-8H,4H2,(H,28,29)(H,30,32).
What are the key properties of 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 484.24 g/mol, XLogP of 5.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-2-fluorophenyl]-N-[6-chloro-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130423608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).