5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one

C25H28FN5O3 — CID 118058936

IUPAC5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CCOCC3)c3ccncc32)nc(=O)c2c(F)cccc21
InChIInChI=1S/C25H28FN5O3/c1-16(2)7-11-29-20-5-3-4-18(26)23(20)24(32)28-22(29)15-30-21-14-27-10-6-19(21)31(25(30)33)17-8-12-34-13-9-17/h3-6,10,14,16-17H,7-9,11-13,15H2,1-2H3
InChIKeyCCHHDJNZFOXALM-UHFFFAOYSA-N
MW465.53 g/mol
LogP3.49
Rot. Bonds6

About 5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one

5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one (PubChem CID 118058936) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is 5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one
PubChem CID118058936
Molecular FormulaC25H28FN5O3
Molecular Weight465.53 g/mol
Exact Mass465.22
IUPAC Name5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CCOCC3)c3ccncc32)nc(=O)c2c(F)cccc21
InChIInChI=1S/C25H28FN5O3/c1-16(2)7-11-29-20-5-3-4-18(26)23(20)24(32)28-22(29)15-30-21-14-27-10-6-19(21)31(25(30)33)17-8-12-34-13-9-17/h3-6,10,14,16-17H,7-9,11-13,15H2,1-2H3
InChIKeyCCHHDJNZFOXALM-UHFFFAOYSA-N
XLogP3.49
TPSA83.94 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.53
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-(oxetan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 57378766
3-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one
CID 88544945
1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 57406132
1-cyclopropyl-5-fluoro-3-[[1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]benzimidazol-2-one
CID 57378765
1-cyclopropyl-3-[[3-(3-methylbutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[4,5-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 67991772
3-[[5-chloro-1-(4-fluorobutyl)benzimidazol-2-yl]methyl]-1-(oxolan-3-yl)imidazo[4,5-c]pyridin-2-one
CID 118131016
1-[[5-chloro-1-(3-methylbutyl)imidazo[4,5-b]pyridin-2-yl]methyl]-3-cyclopropylbenzimidazol-2-one
CID 57378650
1-cyclopropyl-3-[[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 18334819
1-(3-methylbutyl)-2-[(2-oxo-1H-imidazo[4,5-c]pyridin-3-yl)methyl]quinazolin-4-one;oxolane
CID 144839420
1-cyclopropyl-3-[[1-(5-hydroxypentyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
CID 18334827
methyl 4-[3-[[5-fluoro-4-(4-hydroxybutyl)isoquinolin-3-yl]methyl]-2-oxoimidazo[4,5-c]pyridin-1-yl]piperidine-1-carboxylate
CID 137371308
magnesium;carbanide;4-[5-chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[4,5-b]pyridin-1-yl]butanal;3-[[5-chloro-1-(4-hydroxypentyl)imidazo[4,5-b]pyridin-2-yl]methyl]-1-cyclopropylimidazo[4,5-c]pyridin-2-one;iodide
CID 159077189

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one?
The IUPAC name of 5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one (CID 118058936) is 5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one?
The canonical SMILES for 5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one is CC(C)CCn1c(Cn2c(=O)n(C3CCOCC3)c3ccncc32)nc(=O)c2c(F)cccc21.
What is the InChIKey of 5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one?
The InChIKey is CCHHDJNZFOXALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-16(2)7-11-29-20-5-3-4-18(26)23(20)24(32)28-22(29)15-30-21-14-27-10-6-19(21)31(25(30)33)17-8-12-34-13-9-17/h3-6,10,14,16-17H,7-9,11-13,15H2,1-2H3.
What are the key properties of 5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one?
5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one has a molecular weight of 465.53 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-methylbutyl)-2-[[1-(oxan-4-yl)-2-oxoimidazo[4,5-c]pyridin-3-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 118058936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).