2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H14ClFN4O — CID 59540821

IUPAC2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(-c3cc(F)cc(Cl)c3)nc12
InChIInChI=1S/C16H14ClFN4O/c1-8(2)21-16(23)12-6-19-15-14(12)22-13(7-20-15)9-3-10(17)5-11(18)4-9/h3-8H,1-2H3,(H,19,20)(H,21,23)
InChIKeyICAKUMQVGDWOEH-UHFFFAOYSA-N
MW332.77 g/mol
LogP3.56
Rot. Bonds3

About 2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 59540821) has the molecular formula C16H14ClFN4O and a molecular weight of 332.77 g/mol. Its IUPAC name is 2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID59540821
Molecular FormulaC16H14ClFN4O
Molecular Weight332.77 g/mol
Exact Mass332.08
IUPAC Name2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(-c3cc(F)cc(Cl)c3)nc12
InChIInChI=1S/C16H14ClFN4O/c1-8(2)21-16(23)12-6-19-15-14(12)22-13(7-20-15)9-3-10(17)5-11(18)4-9/h3-8H,1-2H3,(H,19,20)(H,21,23)
InChIKeyICAKUMQVGDWOEH-UHFFFAOYSA-N
XLogP3.56
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.77
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 59540821) is 2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1c[nH]c2ncc(-c3cc(F)cc(Cl)c3)nc12.
What is the InChIKey of 2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is ICAKUMQVGDWOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN4O/c1-8(2)21-16(23)12-6-19-15-14(12)22-13(7-20-15)9-3-10(17)5-11(18)4-9/h3-8H,1-2H3,(H,19,20)(H,21,23).
What are the key properties of 2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 332.77 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-fluorophenyl)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 59540821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).