3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one

C19H18FN5O2 — CID 130205279

IUPAC3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
SMILESCC1(Cc2ccc(F)cc2)NC(O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C19H18FN5O2/c1-19(10-12-2-4-13(20)5-3-12)24-17(26)15-7-6-14(18(27)25(15)19)23-16-8-9-21-11-22-16/h2-9,11,17,24,26H,10H2,1H3,(H,21,22,23)
InChIKeyICUTWVACFZHXOK-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.03
Rot. Bonds4

About 3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one

3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one (PubChem CID 130205279) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
PubChem CID130205279
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
SMILESCC1(Cc2ccc(F)cc2)NC(O)c2ccc(Nc3ccncn3)c(=O)n21
InChIInChI=1S/C19H18FN5O2/c1-19(10-12-2-4-13(20)5-3-12)24-17(26)15-7-6-14(18(27)25(15)19)23-16-8-9-21-11-22-16/h2-9,11,17,24,26H,10H2,1H3,(H,21,22,23)
InChIKeyICUTWVACFZHXOK-UHFFFAOYSA-N
XLogP2.03
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(3-chlorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
CID 155474790
N-[6-[[1-hydroxy-3-methyl-5-oxo-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-6-yl]amino]pyrimidin-4-yl]cyclopropanecarboxamide
CID 142483378
8-fluoro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118599128
1-hydroxy-3-methyl-6-(2-pyrimidin-4-ylethyl)-3-(2,2,2-trifluoroethyl)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
CID 142483362
10-methyl-4-(pyrimidin-4-ylamino)-2,9-diazatetracyclo[7.4.0.01,10.02,7]trideca-4,6-diene-3,8-dione
CID 118613761
3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598882
8-chloro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;bis(8-cyclopropyl-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione);methane
CID 159985735
6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-pyrrolidine]-1,5-dione
CID 118598605
tert-butyl 8-chloro-5'-fluoro-1,5-dioxo-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,3'-2H-indole]-1'-carboxylate
CID 118598833
1'-acetyl-8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione
CID 118598994
8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;hydrochloride
CID 118599046
6-chloro-3-(3,5-difluorophenyl)-3-methyl-2H-imidazo[1,5-a]pyridine-1,5-dione;5-chloro-6-oxo-1H-pyridine-2-carboxamide;1-(3,5-difluorophenyl)ethanone;3-(3,5-difluorophenyl)-3-methyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione;pyrimidin-4-amine
CID 159840963

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one (CID 130205279) is 3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one is CC1(Cc2ccc(F)cc2)NC(O)c2ccc(Nc3ccncn3)c(=O)n21.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
The InChIKey is ICUTWVACFZHXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-19(10-12-2-4-13(20)5-3-12)24-17(26)15-7-6-14(18(27)25(15)19)23-16-8-9-21-11-22-16/h2-9,11,17,24,26H,10H2,1H3,(H,21,22,23).
What are the key properties of 3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one?
3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one has a molecular weight of 367.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one is sourced from PubChem (CID 130205279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).