2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

C17H15F2N3O — CID 91890165

IUPAC2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESO=c1c2c3c(nn2ccn1Cc1cc(F)cc(F)c1)CCCC3
InChIInChI=1S/C17H15F2N3O/c18-12-7-11(8-13(19)9-12)10-21-5-6-22-16(17(21)23)14-3-1-2-4-15(14)20-22/h5-9H,1-4,10H2
InChIKeyNDVLVSFYVWKBBZ-UHFFFAOYSA-N
MW315.32 g/mol
LogP2.70
Rot. Bonds2

About 2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one

2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (PubChem CID 91890165) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
PubChem CID91890165
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one
SMILESO=c1c2c3c(nn2ccn1Cc1cc(F)cc(F)c1)CCCC3
InChIInChI=1S/C17H15F2N3O/c18-12-7-11(8-13(19)9-12)10-21-5-6-22-16(17(21)23)14-3-1-2-4-15(14)20-22/h5-9H,1-4,10H2
InChIKeyNDVLVSFYVWKBBZ-UHFFFAOYSA-N
XLogP2.70
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one (CID 91890165) is 2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is O=c1c2c3c(nn2ccn1Cc1cc(F)cc(F)c1)CCCC3.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
The InChIKey is NDVLVSFYVWKBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c18-12-7-11(8-13(19)9-12)10-21-5-6-22-16(17(21)23)14-3-1-2-4-15(14)20-22/h5-9H,1-4,10H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one?
2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one has a molecular weight of 315.32 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-1-one is sourced from PubChem (CID 91890165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).