8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one

C20H18FN5O2 — CID 138490581

IUPAC8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(F)nc4)ccc3nnc21
InChIInChI=1S/C20H18FN5O2/c1-25-19-18(26(20(25)27)14-6-8-28-9-7-14)15-10-12(2-4-16(15)23-24-19)13-3-5-17(21)22-11-13/h2-5,10-11,14H,6-9H2,1H3
InChIKeyXADRMBUXZOMFRQ-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.84
Rot. Bonds2

About 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one

8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (PubChem CID 138490581) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.

Molecular Properties

Compound Name8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
PubChem CID138490581
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
SMILESCn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(F)nc4)ccc3nnc21
InChIInChI=1S/C20H18FN5O2/c1-25-19-18(26(20(25)27)14-6-8-28-9-7-14)15-10-12(2-4-16(15)23-24-19)13-3-5-17(21)22-11-13/h2-5,10-11,14H,6-9H2,1H3
InChIKeyXADRMBUXZOMFRQ-UHFFFAOYSA-N
XLogP2.84
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxolan-3-yl)imidazo[4,5-c]quinolin-2-one
CID 123853510
8-[6-[(1R)-1-[2-(3-azabicyclo[3.1.0]hexan-3-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 170648295
8-[6-[2-[(3S)-3-(difluoromethoxy)pyrrolidin-1-yl]ethoxymethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 170648191
8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 163706065
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxetan-2-yl)imidazo[4,5-c]quinolin-2-one
CID 152570701
7-fluoro-8-[6-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxymethyl]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 176637598
N,N-dimethyl-3-[[5-[3-methyl-1-(oxan-4-yl)-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-pyridinyl]oxy]propan-1-amine oxide
CID 131986481
3-methyl-1-(oxetan-3-yl)imidazo[4,5-c]cinnolin-2-one
CID 175784064
8-chloro-1-[(4R)-3,3-dimethyloxan-4-yl]-3-methylimidazo[4,5-c]cinnolin-2-one
CID 138490734
8-[6-[(1S)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648246
8-[6-[(1R)-1-[2-(4-fluoropiperidin-1-yl)ethoxy]ethyl]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 170648247
8-[4-[4-(dimethylamino)piperidin-1-yl]phenyl]-1-[(1R,3R)-3-methoxycyclopentyl]-3-methylimidazo[4,5-c]cinnolin-2-one
CID 138494829

Frequently Asked Questions

What is the IUPAC name of 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The IUPAC name of 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one (CID 138490581) is 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one.
What is the SMILES notation for 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The canonical SMILES for 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4ccc(F)nc4)ccc3nnc21.
What is the InChIKey of 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
The InChIKey is XADRMBUXZOMFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-25-19-18(26(20(25)27)14-6-8-28-9-7-14)15-10-12(2-4-16(15)23-24-19)13-3-5-17(21)22-11-13/h2-5,10-11,14H,6-9H2,1H3.
What are the key properties of 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one?
8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one has a molecular weight of 379.40 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-fluoro-3-pyridinyl)-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one is sourced from PubChem (CID 138490581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).