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

C18H16ClN5O2 — CID 142483379

IUPAC3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one
SMILESCC1(c2ccc(Cl)cc2)NC(=O)C2=CC=C(Nc3ccncn3)C(O)N21
InChIInChI=1S/C18H16ClN5O2/c1-18(11-2-4-12(19)5-3-11)23-16(25)14-7-6-13(17(26)24(14)18)22-15-8-9-20-10-21-15/h2-10,17,26H,1H3,(H,23,25)(H,20,21,22)
InChIKeySCZOBGWXVVYOLF-UHFFFAOYSA-N
MW369.81 g/mol
LogP1.95
Rot. Bonds3

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

3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one (PubChem CID 142483379) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one
PubChem CID142483379
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC Name3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one
SMILESCC1(c2ccc(Cl)cc2)NC(=O)C2=CC=C(Nc3ccncn3)C(O)N21
InChIInChI=1S/C18H16ClN5O2/c1-18(11-2-4-12(19)5-3-11)23-16(25)14-7-6-13(17(26)24(14)18)22-15-8-9-20-10-21-15/h2-10,17,26H,1H3,(H,23,25)(H,20,21,22)
InChIKeySCZOBGWXVVYOLF-UHFFFAOYSA-N
XLogP1.95
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-2-methyl-5-methylidene-1-[(E)-2-(pyrimidin-4-ylamino)but-2-enoyl]imidazolidin-4-one
CID 163986735
3-methyl-3-pyridin-2-yl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118598882
1-(4-chlorophenyl)-N-pyrimidin-4-ylcyclopropane-1-carboxamide
CID 110464732
tert-butyl N-methyl-N-[[3-methyl-1,5-dioxo-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridin-3-yl]methyl]carbamate
CID 118598793
8-fluoro-3,3-dimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 118599128
(E,4Z)-4-(2,3-dimethyl-5-oxo-2-thiophen-3-ylimidazolidin-4-ylidene)-2-(pyrimidin-4-ylamino)but-2-enal
CID 139387385
3-[(3-chlorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
CID 155474790
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
3,3,8-trimethyl-6-(pyrimidin-4-ylamino)-2H-imidazo[1,5-a]pyridine-1,5-dione
CID 160750705
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
3-[(4-fluorophenyl)methyl]-1-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-1,2-dihydroimidazo[1,5-a]pyridin-5-one
CID 130205279
N-(2-chlorophenyl)pyrimidin-4-amine
CID 174441360

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one?
The IUPAC name of 3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one (CID 142483379) is 3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one is CC1(c2ccc(Cl)cc2)NC(=O)C2=CC=C(Nc3ccncn3)C(O)N21.
What is the InChIKey of 3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one?
The InChIKey is SCZOBGWXVVYOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c1-18(11-2-4-12(19)5-3-11)23-16(25)14-7-6-13(17(26)24(14)18)22-15-8-9-20-10-21-15/h2-10,17,26H,1H3,(H,23,25)(H,20,21,22).
What are the key properties of 3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one?
3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one has a molecular weight of 369.81 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-5-hydroxy-3-methyl-6-(pyrimidin-4-ylamino)-2,5-dihydroimidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 142483379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).