2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one

C26H23F2N5O2 — CID 171514466

IUPAC2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCCc1ccc2c3c(nc(Cc4ccc(OC(F)F)cc4)n3C)c(=O)n(-c3cccnc3C)c2n1
InChIInChI=1S/C26H23F2N5O2/c1-4-17-9-12-19-23-22(25(34)33(24(19)30-17)20-6-5-13-29-15(20)2)31-21(32(23)3)14-16-7-10-18(11-8-16)35-26(27)28/h5-13,26H,4,14H2,1-3H3
InChIKeyBMVYVPCPZKDEHO-UHFFFAOYSA-N
MW475.50 g/mol
LogP4.73
Rot. Bonds6

About 2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one

2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one (PubChem CID 171514466) has the molecular formula C26H23F2N5O2 and a molecular weight of 475.50 g/mol. Its IUPAC name is 2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one.

Molecular Properties

Compound Name2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one
PubChem CID171514466
Molecular FormulaC26H23F2N5O2
Molecular Weight475.50 g/mol
Exact Mass475.18
IUPAC Name2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one
SMILESCCc1ccc2c3c(nc(Cc4ccc(OC(F)F)cc4)n3C)c(=O)n(-c3cccnc3C)c2n1
InChIInChI=1S/C26H23F2N5O2/c1-4-17-9-12-19-23-22(25(34)33(24(19)30-17)20-6-5-13-29-15(20)2)31-21(32(23)3)14-16-7-10-18(11-8-16)35-26(27)28/h5-13,26H,4,14H2,1-3H3
InChIKeyBMVYVPCPZKDEHO-UHFFFAOYSA-N
XLogP4.73
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.50
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The IUPAC name of 2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one (CID 171514466) is 2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one.
What is the SMILES notation for 2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The canonical SMILES for 2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one is CCc1ccc2c3c(nc(Cc4ccc(OC(F)F)cc4)n3C)c(=O)n(-c3cccnc3C)c2n1.
What is the InChIKey of 2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
The InChIKey is BMVYVPCPZKDEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F2N5O2/c1-4-17-9-12-19-23-22(25(34)33(24(19)30-17)20-6-5-13-29-15(20)2)31-21(32(23)3)14-16-7-10-18(11-8-16)35-26(27)28/h5-13,26H,4,14H2,1-3H3.
What are the key properties of 2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one?
2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one has a molecular weight of 475.50 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethoxy)phenyl]methyl]-7-ethyl-1-methyl-5-(2-methyl-3-pyridinyl)imidazo[4,5-c][1,8]naphthyridin-4-one is sourced from PubChem (CID 171514466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).