2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde

C15H9F2N5O — CID 71286128

IUPAC2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESCn1nc(-c2cnc3[nH]cc(C=O)c3n2)c2c(F)cc(F)cc21
InChIInChI=1S/C15H9F2N5O/c1-22-11-3-8(16)2-9(17)12(11)14(21-22)10-5-19-15-13(20-10)7(6-23)4-18-15/h2-6H,1H3,(H,18,19)
InChIKeyVCUPYJFCUUUSJB-UHFFFAOYSA-N
MW313.27 g/mol
LogP2.60
Rot. Bonds2

About 2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde

2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde (PubChem CID 71286128) has the molecular formula C15H9F2N5O and a molecular weight of 313.27 g/mol. Its IUPAC name is 2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde.

Molecular Properties

Compound Name2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
PubChem CID71286128
Molecular FormulaC15H9F2N5O
Molecular Weight313.27 g/mol
Exact Mass313.08
IUPAC Name2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
SMILESCn1nc(-c2cnc3[nH]cc(C=O)c3n2)c2c(F)cc(F)cc21
InChIInChI=1S/C15H9F2N5O/c1-22-11-3-8(16)2-9(17)12(11)14(21-22)10-5-19-15-13(20-10)7(6-23)4-18-15/h2-6H,1H3,(H,18,19)
InChIKeyVCUPYJFCUUUSJB-UHFFFAOYSA-N
XLogP2.60
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.27
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The IUPAC name of 2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde (CID 71286128) is 2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde.
What is the SMILES notation for 2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The canonical SMILES for 2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde is Cn1nc(-c2cnc3[nH]cc(C=O)c3n2)c2c(F)cc(F)cc21.
What is the InChIKey of 2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
The InChIKey is VCUPYJFCUUUSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2N5O/c1-22-11-3-8(16)2-9(17)12(11)14(21-22)10-5-19-15-13(20-10)7(6-23)4-18-15/h2-6H,1H3,(H,18,19).
What are the key properties of 2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde?
2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde has a molecular weight of 313.27 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-difluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde is sourced from PubChem (CID 71286128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).