1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one

C17H13F2N5O2 — CID 164575403

IUPAC1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one
SMILESCOc1ccc2c(ncc3[nH]c(=O)n(Cc4c(F)cc(N)cc4F)c32)n1
InChIInChI=1S/C17H13F2N5O2/c1-26-14-3-2-9-15-13(6-21-16(9)23-14)22-17(25)24(15)7-10-11(18)4-8(20)5-12(10)19/h2-6H,7,20H2,1H3,(H,22,25)
InChIKeyDICWFQIPICOIBQ-UHFFFAOYSA-N
MW357.32 g/mol
LogP2.19
Rot. Bonds3

About 1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one

1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one (PubChem CID 164575403) has the molecular formula C17H13F2N5O2 and a molecular weight of 357.32 g/mol. Its IUPAC name is 1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one.

Molecular Properties

Compound Name1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one
PubChem CID164575403
Molecular FormulaC17H13F2N5O2
Molecular Weight357.32 g/mol
Exact Mass357.10
IUPAC Name1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one
SMILESCOc1ccc2c(ncc3[nH]c(=O)n(Cc4c(F)cc(N)cc4F)c32)n1
InChIInChI=1S/C17H13F2N5O2/c1-26-14-3-2-9-15-13(6-21-16(9)23-14)22-17(25)24(15)7-10-11(18)4-8(20)5-12(10)19/h2-6H,7,20H2,1H3,(H,22,25)
InChIKeyDICWFQIPICOIBQ-UHFFFAOYSA-N
XLogP2.19
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one?
The IUPAC name of 1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one (CID 164575403) is 1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one.
What is the SMILES notation for 1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one?
The canonical SMILES for 1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one is COc1ccc2c(ncc3[nH]c(=O)n(Cc4c(F)cc(N)cc4F)c32)n1.
What is the InChIKey of 1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one?
The InChIKey is DICWFQIPICOIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N5O2/c1-26-14-3-2-9-15-13(6-21-16(9)23-14)22-17(25)24(15)7-10-11(18)4-8(20)5-12(10)19/h2-6H,7,20H2,1H3,(H,22,25).
What are the key properties of 1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one?
1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one has a molecular weight of 357.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2,6-difluorophenyl)methyl]-7-methoxy-3H-imidazo[4,5-c][1,8]naphthyridin-2-one is sourced from PubChem (CID 164575403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).